Showing NP-Card for trichorzianine 1777 (NP0352549)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-13 03:56:58 UTC | |||||||||||||||
| Updated at | 2026-04-14 03:35:15 UTC | |||||||||||||||
| NP-MRD ID | NP0352549 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/6618 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | trichorzianine 1777 | |||||||||||||||
| Description | Not Available | |||||||||||||||
| Structure |  MOL for NP0352549 (trichorzianine 1777)
Mrv2104 03142301102D
125125 0 0 1 0 999 V2000
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M END
3D SDF for NP0352549 (trichorzianine 1777)
Mrv2104 03142301102D
125125 0 0 1 0 999 V2000
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-13.8704 -7.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1104 -7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.5284 -7.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
4 3 1 0 0 0 0
4 5 1 1 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
23 22 1 1 0 0 0
23 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
26 28 2 0 0 0 0
23 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
31 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
36 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
41 44 1 0 0 0 0
44 45 1 0 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
49 48 1 1 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
51 53 1 0 0 0 0
49 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
56 58 1 0 0 0 0
56 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
64 60 1 0 0 0 0
64 63 1 0 0 0 0
64 65 1 1 0 0 0
65 66 1 0 0 0 0
67 66 1 6 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
67 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
74 76 1 0 0 0 0
74 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
79 81 1 0 0 0 0
79 82 1 0 0 0 0
82 83 1 0 0 0 0
84 83 1 1 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
87 89 2 0 0 0 0
84 90 1 0 0 0 0
90 91 1 0 0 0 0
92 91 1 1 0 0 0
92 93 1 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
95 97 2 0 0 0 0
92 98 1 0 0 0 0
98 99 1 0 0 0 0
98100 2 0 0 0 0
90101 2 0 0 0 0
82102 2 0 0 0 0
77103 2 0 0 0 0
72104 2 0 0 0 0
65105 2 0 0 0 0
59106 2 0 0 0 0
54107 2 0 0 0 0
47108 2 0 0 0 0
46109 1 0 0 0 0
109110 1 0 0 0 0
44111 2 0 0 0 0
39112 2 0 0 0 0
34113 2 0 0 0 0
29114 2 0 0 0 0
21115 2 0 0 0 0
16116 2 0 0 0 0
11117 2 0 0 0 0
6118 2 0 0 0 0
2119 1 0 0 0 0
119120 1 0 0 0 0
119121 1 0 0 0 0
119122 1 0 0 0 0
122123 1 0 0 0 0
123124 1 0 0 0 0
123125 2 0 0 0 0
M END
> <DATABASE_ID>
NP0352549
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
> <INCHI_IDENTIFIER>
InChI=1S/C80H137N21O24/c1-39(2)36-46(58(112)95-80(25,26)70(125)101-35-27-28-49(101)59(113)87-47(37-40(3)4)57(111)94-77(19,20)66(121)96-72(9,10)62(117)88-43(29-32-50(81)104)54(108)85-45(60(114)115)31-34-52(83)106)86-55(109)48(38-102)90-64(119)74(13,14)98-69(124)79(23,24)100-67(122)76(17,18)93-56(110)44(30-33-51(82)105)89-63(118)73(11,12)97-68(123)78(21,22)99-65(120)75(15,16)92-53(107)41(5)84-61(116)71(7,8)91-42(6)103/h39-41,43-49,102H,27-38H2,1-26H3,(H2,81,104)(H2,82,105)(H2,83,106)(H,84,116)(H,85,108)(H,86,109)(H,87,113)(H,88,117)(H,89,118)(H,90,119)(H,91,103)(H,92,107)(H,93,110)(H,94,111)(H,95,112)(H,96,121)(H,97,123)(H,98,124)(H,99,120)(H,100,122)(H,114,115)/t41-,43-,44-,45-,46-,47-,48-,49-/m0/s1
> <INCHI_KEY>
OOUVSVFBUUWVPU-ULCGJULCSA-N
> <FORMULA>
C80H137N21O24
> <MOLECULAR_WEIGHT>
1777.099
> <EXACT_MASS>
1776.014534375
$$$$
PDB for NP0352549 (trichorzianine 1777)HEADER PROTEIN 14-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 14-MAR-23 0 HETATM 1 O UNK 0 -30.148 -11.386 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 -28.919 -10.457 0.000 0.00 0.00 C+0 HETATM 3 N UNK 0 -29.110 -8.929 0.000 0.00 0.00 N+0 HETATM 4 C UNK 0 -30.529 -8.330 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -31.757 -9.259 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -30.719 -6.802 0.000 0.00 0.00 C+0 HETATM 7 N UNK 0 -32.138 -6.203 0.000 0.00 0.00 N+0 HETATM 8 C UNK 0 -32.328 -4.674 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -33.857 -4.865 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -30.800 -4.484 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -32.519 -3.146 0.000 0.00 0.00 C+0 HETATM 12 N UNK 0 -33.938 -2.547 0.000 0.00 0.00 N+0 HETATM 13 C UNK 0 -34.128 -1.019 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -35.656 -1.210 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -32.600 -0.829 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -34.319 0.509 0.000 0.00 0.00 C+0 HETATM 17 N UNK 0 -35.737 1.108 0.000 0.00 0.00 N+0 HETATM 18 C UNK 0 -35.928 2.636 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -37.456 2.446 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -34.400 2.827 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -36.118 4.165 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 -37.537 4.764 0.000 0.00 0.00 N+0 HETATM 23 C UNK 0 -37.728 6.292 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -39.146 6.891 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -39.337 8.419 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -40.755 9.018 0.000 0.00 0.00 C+0 HETATM 27 N UNK 0 -41.984 8.089 0.000 0.00 0.00 N+0 HETATM 28 O UNK 0 -40.946 10.546 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 -36.499 7.221 0.000 0.00 0.00 C+0 HETATM 30 N UNK 0 -35.081 6.622 0.000 0.00 0.00 N+0 HETATM 31 C UNK 0 -33.853 7.551 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -34.782 8.779 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -32.923 6.323 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -32.624 8.480 0.000 0.00 0.00 C+0 HETATM 35 N UNK 0 -31.206 7.881 0.000 0.00 0.00 N+0 HETATM 36 C UNK 0 -29.977 8.810 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -30.907 10.038 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -29.048 7.582 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -28.749 9.739 0.000 0.00 0.00 C+0 HETATM 40 N UNK 0 -27.331 9.140 0.000 0.00 0.00 N+0 HETATM 41 C UNK 0 -26.102 10.069 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -27.032 11.297 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -25.173 8.841 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -24.874 10.998 0.000 0.00 0.00 C+0 HETATM 45 N UNK 0 -23.456 10.399 0.000 0.00 0.00 N+0 HETATM 46 C UNK 0 -22.227 11.328 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -20.809 10.729 0.000 0.00 0.00 C+0 HETATM 48 N UNK 0 -19.581 11.658 0.000 0.00 0.00 N+0 HETATM 49 C UNK 0 -18.162 11.059 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -16.934 11.988 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -15.515 11.389 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 -14.287 12.318 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 -15.324 9.861 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 -17.971 9.531 0.000 0.00 0.00 C+0 HETATM 55 N UNK 0 -16.553 8.932 0.000 0.00 0.00 N+0 HETATM 56 C UNK 0 -16.362 7.404 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -14.834 7.594 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -17.890 7.213 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -16.172 5.875 0.000 0.00 0.00 C+0 HETATM 60 N UNK 0 -14.753 5.276 0.000 0.00 0.00 N+0 HETATM 61 C UNK 0 -13.434 6.072 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 -12.270 5.064 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -12.869 3.645 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 -14.404 3.776 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -15.412 2.612 0.000 0.00 0.00 C+0 HETATM 66 N UNK 0 -14.908 1.157 0.000 0.00 0.00 N+0 HETATM 67 C UNK 0 -15.916 -0.007 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 -17.428 0.284 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 -18.436 -0.880 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 -17.932 -2.335 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -19.949 -0.589 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 -15.412 -1.462 0.000 0.00 0.00 C+0 HETATM 73 N UNK 0 -13.900 -1.753 0.000 0.00 0.00 N+0 HETATM 74 C UNK 0 -12.891 -0.589 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 -14.056 0.419 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -11.727 -1.597 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 -11.883 0.575 0.000 0.00 0.00 C+0 HETATM 78 N UNK 0 -10.371 0.284 0.000 0.00 0.00 N+0 HETATM 79 C UNK 0 -9.363 1.448 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 -10.527 2.456 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 -8.199 0.440 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 -8.355 2.612 0.000 0.00 0.00 C+0 HETATM 83 N UNK 0 -6.842 2.321 0.000 0.00 0.00 N+0 HETATM 84 C UNK 0 -5.834 3.485 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 -6.338 4.941 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 -5.330 6.105 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 -5.834 7.560 0.000 0.00 0.00 C+0 HETATM 88 N UNK 0 -7.347 7.851 0.000 0.00 0.00 N+0 HETATM 89 O UNK 0 -4.826 8.724 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 -4.322 3.194 0.000 0.00 0.00 C+0 HETATM 91 N UNK 0 -3.314 4.359 0.000 0.00 0.00 N+0 HETATM 92 C UNK 0 -1.802 4.067 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 -0.793 5.232 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 0.719 4.941 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 1.727 6.105 0.000 0.00 0.00 C+0 HETATM 96 N UNK 0 3.239 5.814 0.000 0.00 0.00 N+0 HETATM 97 O UNK 0 1.223 7.560 0.000 0.00 0.00 O+0 HETATM 98 C UNK 0 -1.298 2.612 0.000 0.00 0.00 C+0 HETATM 99 O UNK 0 0.215 2.321 0.000 0.00 0.00 O+0 HETATM 100 O UNK 0 -2.306 1.448 0.000 0.00 0.00 O+0 HETATM 101 O UNK 0 -3.818 1.739 0.000 0.00 0.00 O+0 HETATM 102 O UNK 0 -8.859 4.067 0.000 0.00 0.00 O+0 HETATM 103 O UNK 0 -12.387 2.030 0.000 0.00 0.00 O+0 HETATM 104 O UNK 0 -16.420 -2.626 0.000 0.00 0.00 O+0 HETATM 105 O UNK 0 -16.924 2.903 0.000 0.00 0.00 O+0 HETATM 106 O UNK 0 -17.400 4.946 0.000 0.00 0.00 O+0 HETATM 107 O UNK 0 -19.200 8.602 0.000 0.00 0.00 O+0 HETATM 108 O UNK 0 -20.618 9.201 0.000 0.00 0.00 O+0 HETATM 109 C UNK 0 -22.418 12.856 0.000 0.00 0.00 C+0 HETATM 110 O UNK 0 -23.837 13.455 0.000 0.00 0.00 O+0 HETATM 111 O UNK 0 -25.065 12.526 0.000 0.00 0.00 O+0 HETATM 112 O UNK 0 -28.940 11.267 0.000 0.00 0.00 O+0 HETATM 113 O UNK 0 -32.815 10.008 0.000 0.00 0.00 O+0 HETATM 114 O UNK 0 -36.690 8.749 0.000 0.00 0.00 O+0 HETATM 115 O UNK 0 -34.890 5.094 0.000 0.00 0.00 O+0 HETATM 116 O UNK 0 -33.090 1.438 0.000 0.00 0.00 O+0 HETATM 117 O UNK 0 -31.291 -2.217 0.000 0.00 0.00 O+0 HETATM 118 O UNK 0 -29.491 -5.873 0.000 0.00 0.00 O+0 HETATM 119 C UNK 0 -27.501 -11.056 0.000 0.00 0.00 C+0 HETATM 120 C UNK 0 -28.100 -12.475 0.000 0.00 0.00 C+0 HETATM 121 C UNK 0 -26.902 -9.638 0.000 0.00 0.00 C+0 HETATM 122 N UNK 0 -26.082 -11.655 0.000 0.00 0.00 N+0 HETATM 123 C UNK 0 -25.891 -13.183 0.000 0.00 0.00 C+0 HETATM 124 C UNK 0 -24.473 -13.783 0.000 0.00 0.00 C+0 HETATM 125 O UNK 0 -27.120 -14.113 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 119 CONECT 3 2 4 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 118 CONECT 7 6 8 CONECT 8 7 9 10 11 CONECT 9 8 CONECT 10 8 CONECT 11 8 12 117 CONECT 12 11 13 CONECT 13 12 14 15 16 CONECT 14 13 CONECT 15 13 CONECT 16 13 17 116 CONECT 17 16 18 CONECT 18 17 19 20 21 CONECT 19 18 CONECT 20 18 CONECT 21 18 22 115 CONECT 22 21 23 CONECT 23 22 24 29 CONECT 24 23 25 CONECT 25 24 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 CONECT 29 23 30 114 CONECT 30 29 31 CONECT 31 30 32 33 34 CONECT 32 31 CONECT 33 31 CONECT 34 31 35 113 CONECT 35 34 36 CONECT 36 35 37 38 39 CONECT 37 36 CONECT 38 36 CONECT 39 36 40 112 CONECT 40 39 41 CONECT 41 40 42 43 44 CONECT 42 41 CONECT 43 41 CONECT 44 41 45 111 CONECT 45 44 46 CONECT 46 45 47 109 CONECT 47 46 48 108 CONECT 48 47 49 CONECT 49 48 50 54 CONECT 50 49 51 CONECT 51 50 52 53 CONECT 52 51 CONECT 53 51 CONECT 54 49 55 107 CONECT 55 54 56 CONECT 56 55 57 58 59 CONECT 57 56 CONECT 58 56 CONECT 59 56 60 106 CONECT 60 59 61 64 CONECT 61 60 62 CONECT 62 61 63 CONECT 63 62 64 CONECT 64 60 63 65 CONECT 65 64 66 105 CONECT 66 65 67 CONECT 67 66 68 72 CONECT 68 67 69 CONECT 69 68 70 71 CONECT 70 69 CONECT 71 69 CONECT 72 67 73 104 CONECT 73 72 74 CONECT 74 73 75 76 77 CONECT 75 74 CONECT 76 74 CONECT 77 74 78 103 CONECT 78 77 79 CONECT 79 78 80 81 82 CONECT 80 79 CONECT 81 79 CONECT 82 79 83 102 CONECT 83 82 84 CONECT 84 83 85 90 CONECT 85 84 86 CONECT 86 85 87 CONECT 87 86 88 89 CONECT 88 87 CONECT 89 87 CONECT 90 84 91 101 CONECT 91 90 92 CONECT 92 91 93 98 CONECT 93 92 94 CONECT 94 93 95 CONECT 95 94 96 97 CONECT 96 95 CONECT 97 95 CONECT 98 92 99 100 CONECT 99 98 CONECT 100 98 CONECT 101 90 CONECT 102 82 CONECT 103 77 CONECT 104 72 CONECT 105 65 CONECT 106 59 CONECT 107 54 CONECT 108 47 CONECT 109 46 110 CONECT 110 109 CONECT 111 44 CONECT 112 39 CONECT 113 34 CONECT 114 29 CONECT 115 21 CONECT 116 16 CONECT 117 11 CONECT 118 6 CONECT 119 2 120 121 122 CONECT 120 119 CONECT 121 119 CONECT 122 119 123 CONECT 123 122 124 125 CONECT 124 123 CONECT 125 123 MASTER 0 0 0 0 0 0 0 0 125 0 250 0 END SMILES for NP0352549 (trichorzianine 1777)CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O INCHI for NP0352549 (trichorzianine 1777)InChI=1S/C80H137N21O24/c1-39(2)36-46(58(112)95-80(25,26)70(125)101-35-27-28-49(101)59(113)87-47(37-40(3)4)57(111)94-77(19,20)66(121)96-72(9,10)62(117)88-43(29-32-50(81)104)54(108)85-45(60(114)115)31-34-52(83)106)86-55(109)48(38-102)90-64(119)74(13,14)98-69(124)79(23,24)100-67(122)76(17,18)93-56(110)44(30-33-51(82)105)89-63(118)73(11,12)97-68(123)78(21,22)99-65(120)75(15,16)92-53(107)41(5)84-61(116)71(7,8)91-42(6)103/h39-41,43-49,102H,27-38H2,1-26H3,(H2,81,104)(H2,82,105)(H2,83,106)(H,84,116)(H,85,108)(H,86,109)(H,87,113)(H,88,117)(H,89,118)(H,90,119)(H,91,103)(H,92,107)(H,93,110)(H,94,111)(H,95,112)(H,96,121)(H,97,123)(H,98,124)(H,99,120)(H,100,122)(H,114,115)/t41-,43-,44-,45-,46-,47-,48-,49-/m0/s1 3D Structure for NP0352549 (trichorzianine 1777) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C80H137N21O24 | |||||||||||||||
| Average Mass | 1777.0990 Da | |||||||||||||||
| Monoisotopic Mass | 1776.01453 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O | |||||||||||||||
| InChI Identifier | InChI=1S/C80H137N21O24/c1-39(2)36-46(58(112)95-80(25,26)70(125)101-35-27-28-49(101)59(113)87-47(37-40(3)4)57(111)94-77(19,20)66(121)96-72(9,10)62(117)88-43(29-32-50(81)104)54(108)85-45(60(114)115)31-34-52(83)106)86-55(109)48(38-102)90-64(119)74(13,14)98-69(124)79(23,24)100-67(122)76(17,18)93-56(110)44(30-33-51(82)105)89-63(118)73(11,12)97-68(123)78(21,22)99-65(120)75(15,16)92-53(107)41(5)84-61(116)71(7,8)91-42(6)103/h39-41,43-49,102H,27-38H2,1-26H3,(H2,81,104)(H2,82,105)(H2,83,106)(H,84,116)(H,85,108)(H,86,109)(H,87,113)(H,88,117)(H,89,118)(H,90,119)(H,91,103)(H,92,107)(H,93,110)(H,94,111)(H,95,112)(H,96,121)(H,97,123)(H,98,124)(H,99,120)(H,100,122)(H,114,115)/t41-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | |||||||||||||||
| InChI Key | OOUVSVFBUUWVPU-ULCGJULCSA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
| ||||||||||||||||
| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin |
| |||||||||||||||
| Chemical Taxonomy | ||||||||||||||||
| Classification | Not classified | |||||||||||||||
| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||
| External Links | Not Available | |||||||||||||||
| References | ||||||||||||||||
| General References | ||||||||||||||||
