MB-VC-MGBA
HIT214324178
sdf文件结构编辑类似物检索
HIT ID: HIT214324178
Cas No: 932744-62-2
分子式: C56H65ClN12O10
分子量: 1101.66
常用名: MB-VC-MGBA
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S)-3-(5-{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-({2-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanamido]ethyl}amino)-3-methylbutanamido]pentanamido]benzamido}-1H-indole-2-carbonyl)-1-(chloromethyl)-1H,2H,3H-benzo[e]indol-5-yl 4-methylpiperazine-1-carboxylate
IUPAC: (1S)-3-(5-{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-({2-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanamido]ethyl}amino)-3-methylbutanamido]pentanamido]benzamido}-1H-indole-2-carbonyl)-1-(chloromethyl)-1H,2H,3H-benzo[e]indol-5-yl 4-methylpiperazine-1-carboxylate
SMILES: CC(C)[C@H](NCCNC(=O)CCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1C[C@@H](CCl)c2c1cc(OC(=O)N1CCN(C)CC1)c1ccccc21 |c:16,@:1|
SMILES: CC(C)[C@H](NCCNC(=O)CCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1C[C@@H](CCl)c2c1cc(OC(=O)N1CCN(C)CC1)c1ccccc21 |c:16,@:1|
InChI key: LWUVZRWVARAEMO-MUYWJSLASA-N
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