Cistinexine
HIT214319246
sdf文件结构编辑类似物检索
HIT ID: HIT214319246
Cas No: 86042-51-5
分子式: C50H61Br4ClN6O6S2
分子量: 1261.26
常用名: Cistinexine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: benzyl N-[(1R)-2-{[(2R)-2-{[(benzyloxy)carbonyl]amino}-2-[(2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}phenyl)carbamoyl]ethyl]disulfanyl}-1-[(2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}phenyl)carbamoyl]ethyl]carbamate hydrochloride
IUPAC: benzyl N-[(1R)-2-{[(2R)-2-{[(benzyloxy)carbonyl]amino}-2-[(2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}phenyl)carbamoyl]ethyl]disulfanyl}-1-[(2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}phenyl)carbamoyl]ethyl]carbamate hydrochloride
SMILES: Cl.CN(Cc1cc(Br)cc(Br)c1NC(=O)[C@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1c(Br)cc(Br)cc1CN(C)C1CCCCC1)NC(=O)OCc1ccccc1)C1CCCCC1
SMILES: Cl.CN(Cc1cc(Br)cc(Br)c1NC(=O)[C@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1c(Br)cc(Br)cc1CN(C)C1CCCCC1)NC(=O)OCc1ccccc1)C1CCCCC1
InChI key: LQFPRHSFPFUNBQ-CPBSDHCOSA-N
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