(D-Arg8)-Inotocin
HIT218851625
sdf文件结构编辑类似物检索
HIT ID: HIT218851625
Cas No: 745816-74-4
分子式: C39H68N14O11S2
分子量: 973.18
常用名: (D-Arg8)-Inotocin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R)-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-10-[(1R)-1-hydroxyethyl]-16-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-(carbamoylmethyl)pentanamide
IUPAC: (2R)-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-10-[(1R)-1-hydroxyethyl]-16-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-(carbamoylmethyl)pentanamide
SMILES: [H][C@]1(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O)[C@@H](C)CC)[C@@H](C)O
SMILES: [H][C@]1(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O)[C@@H](C)CC)[C@@H](C)O
InChI key: SIYJZPZEWJFZRZ-YEDNXIKFSA-N
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