Mrv1652309122214002D 42 45 0 0 1 0 999 V2000 -2.0203 -3.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 -2.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9922 -2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5991 -2.2693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7826 -1.4650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1757 -1.7829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7545 -0.4174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5429 -0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1497 0.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3614 -0.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8107 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6272 -3.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2059 -1.9514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3044 -1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 -0.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0053 -1.3903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6826 -0.8816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5502 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3837 -1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9657 -2.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7723 -2.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9391 -1.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3731 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9584 -2.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 -3.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -4.3648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 -4.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 -5.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.2953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0546 -5.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2296 -5.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -5.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4204 -5.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0118 -4.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1868 -4.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -3.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5428 -2.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2723 -3.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6035 -2.1108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 6 0 0 0 5 6 2 0 0 0 0 6 7 1 4 0 0 0 6 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 4 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 20 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 2 0 0 0 0 28 27 1 4 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 6 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 33 38 1 0 0 0 0 31 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 4 0 0 0 40 42 1 0 0 0 0 18 42 1 0 0 0 0 42 15 1 1 0 0 0 M END > NP0328494 > NP-MRD > CC(C)[C@H](N=C(O)[C@H](C)N(C)C)C(=O)N1CC[C@@H]2OC3=CC=C(C=C3)\C=C/N=C(O)[C@H](CC3=CC=CC=C3)N=C(O)[C@@H]12 > InChI=1S/C32H41N5O5/c1-20(2)27(35-29(38)21(3)36(4)5)32(41)37-18-16-26-28(37)31(40)34-25(19-23-9-7-6-8-10-23)30(39)33-17-15-22-11-13-24(42-26)14-12-22/h6-15,17,20-21,25-28H,16,18-19H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/b17-15-/t21-,25-,26-,27-,28-/m0/s1 > OGCOHPMZUTVUAD-NHFZPNTRSA-N > C32H41N5O5 > 575.71 > 575.31076944 > 9 > 83 > 60.69745346540873 > 1 > 3 > 0 > 0 > (2S)-N-[(2S)-1-[(3S,7S,10S,13Z)-10-benzyl-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0^{3,7}]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)propanimidic acid > -3.2803350756711933 > 1 > 4 > 1 > -4.863436624830443 > -7.124053612078193 > 14.94002092230918 > 130.55 > 161.02699999999996 > 7 > 0 > (2S)-N-[(2S)-1-[(3S,7S,10S,13Z)-10-benzyl-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0^{3,7}]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)propanimidic acid > 0 > NP0328494 > (2s)-n-[(2s)-1-[(3s,7s,10s,13z)-10-benzyl-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)propanimidic acid $$$$