Name: EC1169
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849689
Cas No:
常用名:EC1169
IUPAC:(2S)-2-({[(1S)-5-[({[4-({[(1S)-1-{[(1S)-1-{[(1R)-2-{[2-({N'-[(2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-3-[(2S,3S)-N-[(butanoyloxy)methyl]-3-methyl-2-{[(2R)-1-methylpiperidin-2-yl]formamido}pentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}formamido)-5-(4-hydroxyphenyl)-2-methylpentanoyl]hydrazinecarbonyl}oxy)ethyl]disulfanyl}-1-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}methyl)phenyl]methyl}carbamoyl)amino]-1-carboxypentyl]carbamoyl}amino)pentanedioic acid
IUPAC:(2S)-2-({[(1S)-5-[({[4-({[(1S)-1-{[(1S)-1-{[(1R)-2-{[2-({N'-[(2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-3-[(2S,3S)-N-[(butanoyloxy)methyl]-3-methyl-2-{[(2R)-1-methylpiperidin-2-yl]formamido}pentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}formamido)-5-(4-hydroxyphenyl)-2-methylpentanoyl]hydrazinecarbonyl}oxy)ethyl]disulfanyl}-1-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}methyl)phenyl]methyl}carbamoyl)amino]-1-carboxypentyl]carbamoyl}amino)pentanedioic acid
InChI key:FHMWPGDRYQRIPB-IEAKDTJSSA-N

分子式:C78H112N14O28S3
分子量:1790
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCC(=O)OCN([C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(CNC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)cc1)C(O)=O)Cc1ccc(O)cc1)C(C)C)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC
SMILES:CCCC(=O)OCN([C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(CNC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)cc1)C(O)=O)Cc1ccc(O)cc1)C(C)C)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC

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