c(Bua-Cpa-Thi-Val-Asn-Cys)-Pro-Agm
HIT218851929
sdf文件结构编辑类似物检索
HIT ID: HIT218851929
Cas No: 1647119-71-8
分子式: C47H69ClN12O9S2
分子量: 1045.71
常用名: c(Bua-Cpa-Thi-Val-Asn-Cys)-Pro-Agm
常用名: c(Bua-Cpa-Thi-Val-Asn-Cys)-Pro-Agm
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R)-5-carbamimidamido-2-{[(2S)-1-[(3R,6S,9S,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]pyrrolidin-2-yl]formamido}-N,N-diethylpentanamide
IUPAC: (2R)-5-carbamimidamido-2-{[(2S)-1-[(3R,6S,9S,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]pyrrolidin-2-yl]formamido}-N,N-diethylpentanamide
SMILES: CCN(CC)C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
SMILES: CCN(CC)C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
InChI key: KELMVSJFGCWRLO-MLMVTELGSA-N
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