Showing NP-Card for Guineamide F (NP0004651)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 02:04:56 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:49:46 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0004651 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Guineamide F | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Guineamide F is found in Lyngbya majuscula. It was first documented in 2003 (PMID: 12828459). Based on a literature review very few articles have been published on Guineamide F. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0004651 (Guineamide F)Mrv1652307012117543D 107110 0 0 0 0 999 V2000 -1.6116 -6.7358 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3706 -5.9635 -0.0585 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6994 -4.6113 -0.6734 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4939 -3.8103 0.2942 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9382 -3.5058 1.5064 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 -3.8803 2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1688 -4.5868 3.2357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4957 -3.4453 1.7289 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1531 -2.8424 2.8923 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -1.5157 2.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -0.8376 3.9593 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -0.9126 1.6344 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4068 -1.7599 1.2962 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1450 -1.4132 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7206 -1.9270 -1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3876 -1.6414 -2.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5022 -0.8347 -2.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9401 -0.3169 -1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -0.6161 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5224 0.4602 1.9353 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 0.8420 2.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6746 1.5243 1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5584 2.5405 2.3284 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8996 1.5710 0.2750 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9379 1.6408 -0.8568 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5794 2.9773 -0.4855 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4147 3.8416 -0.1566 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3222 2.9063 0.1445 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 3.1641 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4416 4.1934 0.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1646 2.3464 -0.2558 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5509 3.0412 -1.5516 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9776 4.4485 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0261 5.4539 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 6.7751 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 7.0962 -0.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6437 6.1208 -0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 4.8084 -1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2551 2.1681 0.6632 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0412 2.6085 2.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5174 1.6072 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5448 2.1468 0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7551 0.4001 -0.5108 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2214 0.4061 -0.9644 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5765 -0.7493 -1.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4794 1.6720 -1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6575 -0.7181 0.4177 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6269 -1.6513 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0343 -1.6628 1.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1267 -2.6241 -0.4369 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2319 -3.2377 -1.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 -2.0160 -1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4453 -6.4273 -0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4609 -7.8283 0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9748 -6.4978 1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2784 -5.8953 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1921 -6.5989 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3093 -4.1237 -0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 -4.7484 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -4.4755 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4364 -2.6643 0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0729 -4.2930 1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 -3.4072 3.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5096 -0.9555 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -2.8208 1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -1.8568 2.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 -2.5659 -1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0674 -2.0352 -3.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0236 -0.6164 -3.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 0.3169 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6785 -0.1728 0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4023 1.4896 3.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 1.4792 2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2075 -0.0340 3.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1868 0.7600 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4727 1.7034 -1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 0.8605 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1404 3.3576 -1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3013 2.8587 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5811 4.4871 0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 4.4883 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 1.3252 -0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3237 2.5211 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6171 3.0357 -2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0295 5.2237 -1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 7.6001 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 8.1228 -0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6981 6.3926 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0648 4.0722 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 2.0045 2.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 2.5097 2.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3545 3.6709 2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 0.3541 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8954 0.3960 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 -1.0347 -2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0337 -1.6022 -1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3843 -0.3993 -2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8301 2.4917 -1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2739 1.4374 -2.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5831 1.9225 -2.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4995 -0.7936 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2509 -2.8625 -2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1783 -4.3491 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1951 -3.0250 -0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 -1.5529 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6301 -1.3521 -2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -2.8379 -2.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 12 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 31 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 43 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 6 0 0 0 50 52 1 0 0 0 0 50 4 1 0 0 0 0 19 14 1 0 0 0 0 28 24 1 0 0 0 0 38 33 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 1 55 1 0 0 0 0 2 56 1 0 0 0 0 2 57 1 0 0 0 0 3 58 1 0 0 0 0 3 59 1 0 0 0 0 4 60 1 1 0 0 0 8 61 1 0 0 0 0 8 62 1 0 0 0 0 9 63 1 0 0 0 0 12 64 1 6 0 0 0 13 65 1 0 0 0 0 13 66 1 0 0 0 0 15 67 1 0 0 0 0 16 68 1 0 0 0 0 17 69 1 0 0 0 0 18 70 1 0 0 0 0 19 71 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 24 75 1 6 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 78 1 0 0 0 0 26 79 1 0 0 0 0 27 80 1 0 0 0 0 27 81 1 0 0 0 0 31 82 1 6 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 34 85 1 0 0 0 0 35 86 1 0 0 0 0 36 87 1 0 0 0 0 37 88 1 0 0 0 0 38 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 43 93 1 6 0 0 0 44 94 1 1 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 47101 1 0 0 0 0 51102 1 0 0 0 0 51103 1 0 0 0 0 51104 1 0 0 0 0 52105 1 0 0 0 0 52106 1 0 0 0 0 52107 1 0 0 0 0 M END 3D MOL for NP0004651 (Guineamide F)RDKit 3D 107110 0 0 0 0 0 0 0 0999 V2000 -1.6116 -6.7358 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3706 -5.9635 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6994 -4.6113 -0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4939 -3.8103 0.2942 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9382 -3.5058 1.5064 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 -3.8803 2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1688 -4.5868 3.2357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4957 -3.4453 1.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 -2.8424 2.8923 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -1.5157 2.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -0.8376 3.9593 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -0.9126 1.6344 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4068 -1.7599 1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 -1.4132 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7206 -1.9270 -1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3876 -1.6414 -2.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5022 -0.8347 -2.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9401 -0.3169 -1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -0.6161 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5224 0.4602 1.9353 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 0.8420 2.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6746 1.5243 1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5584 2.5405 2.3284 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8996 1.5710 0.2750 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9379 1.6408 -0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5794 2.9773 -0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4147 3.8416 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 2.9063 0.1445 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 3.1641 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4416 4.1934 0.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1646 2.3464 -0.2558 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5509 3.0412 -1.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9776 4.4485 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0261 5.4539 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 6.7751 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 7.0962 -0.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6437 6.1208 -0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 4.8084 -1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2551 2.1681 0.6632 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0412 2.6085 2.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5174 1.6072 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5448 2.1468 0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7551 0.4001 -0.5108 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2214 0.4061 -0.9644 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5765 -0.7493 -1.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4794 1.6720 -1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6575 -0.7181 0.4177 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6269 -1.6513 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0343 -1.6628 1.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1267 -2.6241 -0.4369 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2319 -3.2377 -1.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 -2.0160 -1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4453 -6.4273 -0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4609 -7.8283 0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9748 -6.4978 1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2784 -5.8953 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1921 -6.5989 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3093 -4.1237 -0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 -4.7484 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -4.4755 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4364 -2.6643 0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0729 -4.2930 1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 -3.4072 3.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5096 -0.9555 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -2.8208 1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -1.8568 2.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 -2.5659 -1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0674 -2.0352 -3.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0236 -0.6164 -3.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 0.3169 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6785 -0.1728 0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4023 1.4896 3.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 1.4792 2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2075 -0.0340 3.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1868 0.7600 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4727 1.7034 -1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 0.8605 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1404 3.3576 -1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3013 2.8587 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5811 4.4871 0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 4.4883 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 1.3252 -0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3237 2.5211 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6171 3.0357 -2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0295 5.2237 -1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 7.6001 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 8.1228 -0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6981 6.3926 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0648 4.0722 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 2.0045 2.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 2.5097 2.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3545 3.6709 2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 0.3541 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8954 0.3960 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 -1.0347 -2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0337 -1.6022 -1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3843 -0.3993 -2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8301 2.4917 -1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2739 1.4374 -2.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5831 1.9225 -2.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4995 -0.7936 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2509 -2.8625 -2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1783 -4.3491 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1951 -3.0250 -0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 -1.5529 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6301 -1.3521 -2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -2.8379 -2.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 12 20 1 0 20 21 1 0 20 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 31 39 1 0 39 40 1 0 39 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 43 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 6 50 52 1 0 50 4 1 0 19 14 1 0 28 24 1 0 38 33 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 1 8 61 1 0 8 62 1 0 9 63 1 0 12 64 1 6 13 65 1 0 13 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 19 71 1 0 21 72 1 0 21 73 1 0 21 74 1 0 24 75 1 6 25 76 1 0 25 77 1 0 26 78 1 0 26 79 1 0 27 80 1 0 27 81 1 0 31 82 1 6 32 83 1 0 32 84 1 0 34 85 1 0 35 86 1 0 36 87 1 0 37 88 1 0 38 89 1 0 40 90 1 0 40 91 1 0 40 92 1 0 43 93 1 6 44 94 1 1 45 95 1 0 45 96 1 0 45 97 1 0 46 98 1 0 46 99 1 0 46100 1 0 47101 1 0 51102 1 0 51103 1 0 51104 1 0 52105 1 0 52106 1 0 52107 1 0 M END 3D SDF for NP0004651 (Guineamide F)Mrv1652307012117543D 107110 0 0 0 0 999 V2000 -1.6116 -6.7358 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3706 -5.9635 -0.0585 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6994 -4.6113 -0.6734 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4939 -3.8103 0.2942 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9382 -3.5058 1.5064 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 -3.8803 2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1688 -4.5868 3.2357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4957 -3.4453 1.7289 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1531 -2.8424 2.8923 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -1.5157 2.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -0.8376 3.9593 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -0.9126 1.6344 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4068 -1.7599 1.2962 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1450 -1.4132 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7206 -1.9270 -1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3876 -1.6414 -2.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5022 -0.8347 -2.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9401 -0.3169 -1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -0.6161 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5224 0.4602 1.9353 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 0.8420 2.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6746 1.5243 1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5584 2.5405 2.3284 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8996 1.5710 0.2750 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9379 1.6408 -0.8568 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5794 2.9773 -0.4855 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4147 3.8416 -0.1566 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3222 2.9063 0.1445 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 3.1641 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4416 4.1934 0.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1646 2.3464 -0.2558 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5509 3.0412 -1.5516 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9776 4.4485 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0261 5.4539 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 6.7751 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 7.0962 -0.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6437 6.1208 -0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 4.8084 -1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2551 2.1681 0.6632 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0412 2.6085 2.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5174 1.6072 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5448 2.1468 0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7551 0.4001 -0.5108 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2214 0.4061 -0.9644 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5765 -0.7493 -1.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4794 1.6720 -1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6575 -0.7181 0.4177 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6269 -1.6513 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0343 -1.6628 1.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1267 -2.6241 -0.4369 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2319 -3.2377 -1.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 -2.0160 -1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4453 -6.4273 -0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4609 -7.8283 0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9748 -6.4978 1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2784 -5.8953 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1921 -6.5989 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3093 -4.1237 -0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 -4.7484 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -4.4755 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4364 -2.6643 0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0729 -4.2930 1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 -3.4072 3.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5096 -0.9555 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -2.8208 1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -1.8568 2.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 -2.5659 -1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0674 -2.0352 -3.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0236 -0.6164 -3.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 0.3169 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6785 -0.1728 0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4023 1.4896 3.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 1.4792 2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2075 -0.0340 3.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1868 0.7600 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4727 1.7034 -1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 0.8605 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1404 3.3576 -1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3013 2.8587 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5811 4.4871 0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 4.4883 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 1.3252 -0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3237 2.5211 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6171 3.0357 -2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0295 5.2237 -1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 7.6001 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 8.1228 -0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6981 6.3926 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0648 4.0722 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 2.0045 2.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 2.5097 2.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3545 3.6709 2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 0.3541 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8954 0.3960 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 -1.0347 -2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0337 -1.6022 -1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3843 -0.3993 -2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8301 2.4917 -1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2739 1.4374 -2.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5831 1.9225 -2.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4995 -0.7936 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2509 -2.8625 -2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1783 -4.3491 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1951 -3.0250 -0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 -1.5529 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6301 -1.3521 -2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -2.8379 -2.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 12 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 31 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 43 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 6 0 0 0 50 52 1 0 0 0 0 50 4 1 0 0 0 0 19 14 1 0 0 0 0 28 24 1 0 0 0 0 38 33 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 1 55 1 0 0 0 0 2 56 1 0 0 0 0 2 57 1 0 0 0 0 3 58 1 0 0 0 0 3 59 1 0 0 0 0 4 60 1 1 0 0 0 8 61 1 0 0 0 0 8 62 1 0 0 0 0 9 63 1 0 0 0 0 12 64 1 6 0 0 0 13 65 1 0 0 0 0 13 66 1 0 0 0 0 15 67 1 0 0 0 0 16 68 1 0 0 0 0 17 69 1 0 0 0 0 18 70 1 0 0 0 0 19 71 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 24 75 1 6 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 78 1 0 0 0 0 26 79 1 0 0 0 0 27 80 1 0 0 0 0 27 81 1 0 0 0 0 31 82 1 6 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 34 85 1 0 0 0 0 35 86 1 0 0 0 0 36 87 1 0 0 0 0 37 88 1 0 0 0 0 38 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 43 93 1 6 0 0 0 44 94 1 1 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 47101 1 0 0 0 0 51102 1 0 0 0 0 51103 1 0 0 0 0 51104 1 0 0 0 0 52105 1 0 0 0 0 52106 1 0 0 0 0 52107 1 0 0 0 0 M END > <DATABASE_ID> NP0004651 > <DATABASE_NAME> NP-MRD > <SMILES> [H]N1C(=O)[C@@]([H])(N(C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(OC(=O)C1([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H] > <INCHI_IDENTIFIER> InChI=1S/C40H55N5O7/c1-8-16-32-40(4,5)39(51)42-34(26(2)3)38(50)44(7)31(24-28-19-13-10-14-20-28)37(49)45-22-15-21-29(45)36(48)43(6)30(23-27-17-11-9-12-18-27)35(47)41-25-33(46)52-32/h9-14,17-20,26,29-32,34H,8,15-16,21-25H2,1-7H3,(H,41,47)(H,42,51)/t29-,30-,31-,32+,34-/m0/s1 > <INCHI_KEY> HGABVVDKSKHSGK-AILSMDFESA-N > <FORMULA> C40H55N5O7 > <MOLECULAR_WEIGHT> 717.908 > <EXACT_MASS> 717.410149131 > <JCHEM_ACCEPTOR_COUNT> 6 > <JCHEM_ATOM_COUNT> 107 > <JCHEM_AVERAGE_POLARIZABILITY> 77.68198010648788 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 2 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3S,9R,13S,16S,21aS)-3,16-dibenzyl-2,10,10,15-tetramethyl-13-(propan-2-yl)-9-propyl-icosahydropyrrolo[2,1-i]1-oxa-4,7,10,13,16-pentaazacyclononadecane-1,4,7,11,14,17-hexone > <ALOGPS_LOGP> 4.14 > <JCHEM_LOGP> 4.012363202333333 > <ALOGPS_LOGS> -4.90 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 12.687502893370752 > <JCHEM_PKA_STRONGEST_ACIDIC> 12.111024109832528 > <JCHEM_PKA_STRONGEST_BASIC> -0.8760445742565434 > <JCHEM_POLAR_SURFACE_AREA> 145.43 > <JCHEM_REFRACTIVITY> 195.88160000000005 > <JCHEM_ROTATABLE_BOND_COUNT> 7 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 9.04e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (3S,9R,13S,16S,21aS)-3,16-dibenzyl-13-isopropyl-2,10,10,15-tetramethyl-9-propyl-decahydro-3H-pyrrolo[2,1-i]1-oxa-4,7,10,13,16-pentaazacyclononadecane-1,4,7,11,14,17-hexone > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0004651 (Guineamide F)RDKit 3D 107110 0 0 0 0 0 0 0 0999 V2000 -1.6116 -6.7358 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3706 -5.9635 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6994 -4.6113 -0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4939 -3.8103 0.2942 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9382 -3.5058 1.5064 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 -3.8803 2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1688 -4.5868 3.2357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4957 -3.4453 1.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 -2.8424 2.8923 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -1.5157 2.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -0.8376 3.9593 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -0.9126 1.6344 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4068 -1.7599 1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 -1.4132 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7206 -1.9270 -1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3876 -1.6414 -2.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5022 -0.8347 -2.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9401 -0.3169 -1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -0.6161 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5224 0.4602 1.9353 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 0.8420 2.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6746 1.5243 1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5584 2.5405 2.3284 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8996 1.5710 0.2750 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9379 1.6408 -0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5794 2.9773 -0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4147 3.8416 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 2.9063 0.1445 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 3.1641 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4416 4.1934 0.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1646 2.3464 -0.2558 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5509 3.0412 -1.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9776 4.4485 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0261 5.4539 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 6.7751 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 7.0962 -0.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6437 6.1208 -0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 4.8084 -1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2551 2.1681 0.6632 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0412 2.6085 2.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5174 1.6072 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5448 2.1468 0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7551 0.4001 -0.5108 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2214 0.4061 -0.9644 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5765 -0.7493 -1.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4794 1.6720 -1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6575 -0.7181 0.4177 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6269 -1.6513 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0343 -1.6628 1.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1267 -2.6241 -0.4369 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2319 -3.2377 -1.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 -2.0160 -1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4453 -6.4273 -0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4609 -7.8283 0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9748 -6.4978 1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2784 -5.8953 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1921 -6.5989 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3093 -4.1237 -0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 -4.7484 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -4.4755 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4364 -2.6643 0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0729 -4.2930 1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 -3.4072 3.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5096 -0.9555 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -2.8208 1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -1.8568 2.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 -2.5659 -1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0674 -2.0352 -3.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0236 -0.6164 -3.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 0.3169 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6785 -0.1728 0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4023 1.4896 3.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 1.4792 2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2075 -0.0340 3.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1868 0.7600 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4727 1.7034 -1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 0.8605 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1404 3.3576 -1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3013 2.8587 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5811 4.4871 0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 4.4883 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 1.3252 -0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3237 2.5211 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6171 3.0357 -2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0295 5.2237 -1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 7.6001 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 8.1228 -0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6981 6.3926 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0648 4.0722 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 2.0045 2.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 2.5097 2.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3545 3.6709 2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 0.3541 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8954 0.3960 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 -1.0347 -2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0337 -1.6022 -1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3843 -0.3993 -2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8301 2.4917 -1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2739 1.4374 -2.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5831 1.9225 -2.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4995 -0.7936 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2509 -2.8625 -2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1783 -4.3491 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1951 -3.0250 -0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 -1.5529 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6301 -1.3521 -2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -2.8379 -2.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 12 20 1 0 20 21 1 0 20 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 31 39 1 0 39 40 1 0 39 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 43 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 6 50 52 1 0 50 4 1 0 19 14 1 0 28 24 1 0 38 33 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 1 8 61 1 0 8 62 1 0 9 63 1 0 12 64 1 6 13 65 1 0 13 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 19 71 1 0 21 72 1 0 21 73 1 0 21 74 1 0 24 75 1 6 25 76 1 0 25 77 1 0 26 78 1 0 26 79 1 0 27 80 1 0 27 81 1 0 31 82 1 6 32 83 1 0 32 84 1 0 34 85 1 0 35 86 1 0 36 87 1 0 37 88 1 0 38 89 1 0 40 90 1 0 40 91 1 0 40 92 1 0 43 93 1 6 44 94 1 1 45 95 1 0 45 96 1 0 45 97 1 0 46 98 1 0 46 99 1 0 46100 1 0 47101 1 0 51102 1 0 51103 1 0 51104 1 0 52105 1 0 52106 1 0 52107 1 0 M END PDB for NP0004651 (Guineamide F)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -1.612 -6.736 0.301 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.371 -5.963 -0.059 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.699 -4.611 -0.673 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.494 -3.810 0.294 0.00 0.00 C+0 HETATM 5 O UNK 0 -0.938 -3.506 1.506 0.00 0.00 O+0 HETATM 6 C UNK 0 0.151 -3.880 2.195 0.00 0.00 C+0 HETATM 7 O UNK 0 0.169 -4.587 3.236 0.00 0.00 O+0 HETATM 8 C UNK 0 1.496 -3.445 1.729 0.00 0.00 C+0 HETATM 9 N UNK 0 2.153 -2.842 2.892 0.00 0.00 N+0 HETATM 10 C UNK 0 2.647 -1.516 2.907 0.00 0.00 C+0 HETATM 11 O UNK 0 2.607 -0.838 3.959 0.00 0.00 O+0 HETATM 12 C UNK 0 3.230 -0.913 1.634 0.00 0.00 C+0 HETATM 13 C UNK 0 4.407 -1.760 1.296 0.00 0.00 C+0 HETATM 14 C UNK 0 5.145 -1.413 0.090 0.00 0.00 C+0 HETATM 15 C UNK 0 4.721 -1.927 -1.135 0.00 0.00 C+0 HETATM 16 C UNK 0 5.388 -1.641 -2.305 0.00 0.00 C+0 HETATM 17 C UNK 0 6.502 -0.835 -2.307 0.00 0.00 C+0 HETATM 18 C UNK 0 6.940 -0.317 -1.115 0.00 0.00 C+0 HETATM 19 C UNK 0 6.254 -0.616 0.059 0.00 0.00 C+0 HETATM 20 N UNK 0 3.522 0.460 1.935 0.00 0.00 N+0 HETATM 21 C UNK 0 4.701 0.842 2.704 0.00 0.00 C+0 HETATM 22 C UNK 0 2.675 1.524 1.538 0.00 0.00 C+0 HETATM 23 O UNK 0 2.558 2.541 2.328 0.00 0.00 O+0 HETATM 24 C UNK 0 1.900 1.571 0.275 0.00 0.00 C+0 HETATM 25 C UNK 0 2.938 1.641 -0.857 0.00 0.00 C+0 HETATM 26 C UNK 0 3.579 2.977 -0.486 0.00 0.00 C+0 HETATM 27 C UNK 0 2.415 3.842 -0.157 0.00 0.00 C+0 HETATM 28 N UNK 0 1.322 2.906 0.145 0.00 0.00 N+0 HETATM 29 C UNK 0 -0.059 3.164 0.301 0.00 0.00 C+0 HETATM 30 O UNK 0 -0.442 4.193 0.978 0.00 0.00 O+0 HETATM 31 C UNK 0 -1.165 2.346 -0.256 0.00 0.00 C+0 HETATM 32 C UNK 0 -1.551 3.041 -1.552 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.978 4.449 -1.341 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.026 5.454 -1.393 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.349 6.775 -1.209 0.00 0.00 C+0 HETATM 36 C UNK 0 -2.679 7.096 -0.963 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.644 6.121 -0.906 0.00 0.00 C+0 HETATM 38 C UNK 0 -3.277 4.808 -1.096 0.00 0.00 C+0 HETATM 39 N UNK 0 -2.255 2.168 0.663 0.00 0.00 N+0 HETATM 40 C UNK 0 -2.041 2.608 2.054 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.517 1.607 0.355 0.00 0.00 C+0 HETATM 42 O UNK 0 -4.545 2.147 0.837 0.00 0.00 O+0 HETATM 43 C UNK 0 -3.755 0.400 -0.511 0.00 0.00 C+0 HETATM 44 C UNK 0 -5.221 0.406 -0.964 0.00 0.00 C+0 HETATM 45 C UNK 0 -5.577 -0.749 -1.836 0.00 0.00 C+0 HETATM 46 C UNK 0 -5.479 1.672 -1.730 0.00 0.00 C+0 HETATM 47 N UNK 0 -3.658 -0.718 0.418 0.00 0.00 N+0 HETATM 48 C UNK 0 -2.627 -1.651 0.553 0.00 0.00 C+0 HETATM 49 O UNK 0 -2.034 -1.663 1.703 0.00 0.00 O+0 HETATM 50 C UNK 0 -2.127 -2.624 -0.437 0.00 0.00 C+0 HETATM 51 C UNK 0 -3.232 -3.238 -1.291 0.00 0.00 C+0 HETATM 52 C UNK 0 -1.137 -2.016 -1.412 0.00 0.00 C+0 HETATM 53 H UNK 0 -2.445 -6.427 -0.376 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.461 -7.828 0.283 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.975 -6.498 1.339 0.00 0.00 H+0 HETATM 56 H UNK 0 0.278 -5.895 0.822 0.00 0.00 H+0 HETATM 57 H UNK 0 0.192 -6.599 -0.808 0.00 0.00 H+0 HETATM 58 H UNK 0 0.309 -4.124 -0.811 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.226 -4.748 -1.615 0.00 0.00 H+0 HETATM 60 H UNK 0 -2.395 -4.476 0.540 0.00 0.00 H+0 HETATM 61 H UNK 0 1.436 -2.664 0.954 0.00 0.00 H+0 HETATM 62 H UNK 0 2.073 -4.293 1.322 0.00 0.00 H+0 HETATM 63 H UNK 0 2.276 -3.407 3.776 0.00 0.00 H+0 HETATM 64 H UNK 0 2.510 -0.956 0.807 0.00 0.00 H+0 HETATM 65 H UNK 0 4.008 -2.821 1.208 0.00 0.00 H+0 HETATM 66 H UNK 0 5.112 -1.857 2.180 0.00 0.00 H+0 HETATM 67 H UNK 0 3.853 -2.566 -1.189 0.00 0.00 H+0 HETATM 68 H UNK 0 5.067 -2.035 -3.264 0.00 0.00 H+0 HETATM 69 H UNK 0 7.024 -0.616 -3.257 0.00 0.00 H+0 HETATM 70 H UNK 0 7.819 0.317 -1.135 0.00 0.00 H+0 HETATM 71 H UNK 0 6.678 -0.173 0.965 0.00 0.00 H+0 HETATM 72 H UNK 0 4.402 1.490 3.578 0.00 0.00 H+0 HETATM 73 H UNK 0 5.378 1.479 2.101 0.00 0.00 H+0 HETATM 74 H UNK 0 5.207 -0.034 3.160 0.00 0.00 H+0 HETATM 75 H UNK 0 1.187 0.760 0.154 0.00 0.00 H+0 HETATM 76 H UNK 0 2.473 1.703 -1.838 0.00 0.00 H+0 HETATM 77 H UNK 0 3.690 0.861 -0.738 0.00 0.00 H+0 HETATM 78 H UNK 0 4.140 3.358 -1.381 0.00 0.00 H+0 HETATM 79 H UNK 0 4.301 2.859 0.349 0.00 0.00 H+0 HETATM 80 H UNK 0 2.581 4.487 0.736 0.00 0.00 H+0 HETATM 81 H UNK 0 2.221 4.488 -1.017 0.00 0.00 H+0 HETATM 82 H UNK 0 -0.732 1.325 -0.488 0.00 0.00 H+0 HETATM 83 H UNK 0 -2.324 2.521 -2.098 0.00 0.00 H+0 HETATM 84 H UNK 0 -0.617 3.036 -2.166 0.00 0.00 H+0 HETATM 85 H UNK 0 0.030 5.224 -1.587 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.651 7.600 -1.239 0.00 0.00 H+0 HETATM 87 H UNK 0 -3.014 8.123 -0.805 0.00 0.00 H+0 HETATM 88 H UNK 0 -4.698 6.393 -0.709 0.00 0.00 H+0 HETATM 89 H UNK 0 -4.065 4.072 -1.045 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.649 2.005 2.781 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.014 2.510 2.390 0.00 0.00 H+0 HETATM 92 H UNK 0 -2.354 3.671 2.100 0.00 0.00 H+0 HETATM 93 H UNK 0 -3.091 0.354 -1.362 0.00 0.00 H+0 HETATM 94 H UNK 0 -5.895 0.396 -0.081 0.00 0.00 H+0 HETATM 95 H UNK 0 -4.743 -1.035 -2.503 0.00 0.00 H+0 HETATM 96 H UNK 0 -6.034 -1.602 -1.288 0.00 0.00 H+0 HETATM 97 H UNK 0 -6.384 -0.399 -2.550 0.00 0.00 H+0 HETATM 98 H UNK 0 -5.830 2.492 -1.068 0.00 0.00 H+0 HETATM 99 H UNK 0 -6.274 1.437 -2.504 0.00 0.00 H+0 HETATM 100 H UNK 0 -4.583 1.923 -2.320 0.00 0.00 H+0 HETATM 101 H UNK 0 -4.500 -0.794 1.080 0.00 0.00 H+0 HETATM 102 H UNK 0 -3.251 -2.862 -2.309 0.00 0.00 H+0 HETATM 103 H UNK 0 -3.178 -4.349 -1.330 0.00 0.00 H+0 HETATM 104 H UNK 0 -4.195 -3.025 -0.786 0.00 0.00 H+0 HETATM 105 H UNK 0 -0.280 -1.553 -0.879 0.00 0.00 H+0 HETATM 106 H UNK 0 -1.630 -1.352 -2.143 0.00 0.00 H+0 HETATM 107 H UNK 0 -0.692 -2.838 -2.015 0.00 0.00 H+0 CONECT 1 2 53 54 55 CONECT 2 1 3 56 57 CONECT 3 2 4 58 59 CONECT 4 3 5 50 60 CONECT 5 4 6 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 61 62 CONECT 9 8 10 63 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 20 64 CONECT 13 12 14 65 66 CONECT 14 13 15 19 CONECT 15 14 16 67 CONECT 16 15 17 68 CONECT 17 16 18 69 CONECT 18 17 19 70 CONECT 19 18 14 71 CONECT 20 12 21 22 CONECT 21 20 72 73 74 CONECT 22 20 23 24 CONECT 23 22 CONECT 24 22 25 28 75 CONECT 25 24 26 76 77 CONECT 26 25 27 78 79 CONECT 27 26 28 80 81 CONECT 28 27 29 24 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 39 82 CONECT 32 31 33 83 84 CONECT 33 32 34 38 CONECT 34 33 35 85 CONECT 35 34 36 86 CONECT 36 35 37 87 CONECT 37 36 38 88 CONECT 38 37 33 89 CONECT 39 31 40 41 CONECT 40 39 90 91 92 CONECT 41 39 42 43 CONECT 42 41 CONECT 43 41 44 47 93 CONECT 44 43 45 46 94 CONECT 45 44 95 96 97 CONECT 46 44 98 99 100 CONECT 47 43 48 101 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 52 4 CONECT 51 50 102 103 104 CONECT 52 50 105 106 107 CONECT 53 1 CONECT 54 1 CONECT 55 1 CONECT 56 2 CONECT 57 2 CONECT 58 3 CONECT 59 3 CONECT 60 4 CONECT 61 8 CONECT 62 8 CONECT 63 9 CONECT 64 12 CONECT 65 13 CONECT 66 13 CONECT 67 15 CONECT 68 16 CONECT 69 17 CONECT 70 18 CONECT 71 19 CONECT 72 21 CONECT 73 21 CONECT 74 21 CONECT 75 24 CONECT 76 25 CONECT 77 25 CONECT 78 26 CONECT 79 26 CONECT 80 27 CONECT 81 27 CONECT 82 31 CONECT 83 32 CONECT 84 32 CONECT 85 34 CONECT 86 35 CONECT 87 36 CONECT 88 37 CONECT 89 38 CONECT 90 40 CONECT 91 40 CONECT 92 40 CONECT 93 43 CONECT 94 44 CONECT 95 45 CONECT 96 45 CONECT 97 45 CONECT 98 46 CONECT 99 46 CONECT 100 46 CONECT 101 47 CONECT 102 51 CONECT 103 51 CONECT 104 51 CONECT 105 52 CONECT 106 52 CONECT 107 52 MASTER 0 0 0 0 0 0 0 0 107 0 220 0 END SMILES for NP0004651 (Guineamide F)[H]N1C(=O)[C@@]([H])(N(C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(OC(=O)C1([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H] INCHI for NP0004651 (Guineamide F)InChI=1S/C40H55N5O7/c1-8-16-32-40(4,5)39(51)42-34(26(2)3)38(50)44(7)31(24-28-19-13-10-14-20-28)37(49)45-22-15-21-29(45)36(48)43(6)30(23-27-17-11-9-12-18-27)35(47)41-25-33(46)52-32/h9-14,17-20,26,29-32,34H,8,15-16,21-25H2,1-7H3,(H,41,47)(H,42,51)/t29-,30-,31-,32+,34-/m0/s1 3D Structure for NP0004651 (Guineamide F) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C40H55N5O7 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 717.9080 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 717.41015 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3S,9R,13S,16S,21aS)-3,16-dibenzyl-2,10,10,15-tetramethyl-13-(propan-2-yl)-9-propyl-icosahydropyrrolo[2,1-i]1-oxa-4,7,10,13,16-pentaazacyclononadecane-1,4,7,11,14,17-hexone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3S,9R,13S,16S,21aS)-3,16-dibenzyl-13-isopropyl-2,10,10,15-tetramethyl-9-propyl-decahydro-3H-pyrrolo[2,1-i]1-oxa-4,7,10,13,16-pentaazacyclononadecane-1,4,7,11,14,17-hexone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCCC1OC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H](NC(=O)C1(C)C)C(C)C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C40H55N5O7/c1-8-16-32-40(4,5)39(51)42-34(26(2)3)38(50)44(7)31(24-28-19-13-10-14-20-28)37(49)45-22-15-21-29(45)36(48)43(6)30(23-27-17-11-9-12-18-27)35(47)41-25-33(46)52-32/h9-14,17-20,26,29-32,34H,8,15-16,21-25H2,1-7H3,(H,41,47)(H,42,51)/t29-,30-,31-,32?,34-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | HGABVVDKSKHSGK-AILSMDFESA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA000454 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | C00034530 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 9105814 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 10930574 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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