Velmupressin
HIT218851899
sdf文件结构编辑类似物检索
HIT ID: HIT218851899
Cas No: 1647119-61-6
分子式: C42H60ClN11O8S2
分子量: 946.58
常用名: Velmupressin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-N-(4-carbamimidamidobutyl)-1-[(3R,6S,12S,15S)-6-(carbamoylmethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-(propan-2-yl)-12-[(thiophen-2-yl)methyl]-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide
IUPAC: (2S)-N-(4-carbamimidamidobutyl)-1-[(3R,6S,12S,15S)-6-(carbamoylmethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-(propan-2-yl)-12-[(thiophen-2-yl)methyl]-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide
SMILES: CC(C)C1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
SMILES: CC(C)C1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
InChI key: VXHQBKSIDHVNIG-MFKPMXSQSA-N
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