Name: Memnopeptide A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619419
Cas No:358748-04-6
常用名:Memnopeptide A
IUPAC:1-[1-(2-{[1-(4-carbamoyl-2-{2-[(1-{4-carbamoyl-2-[2-(2-{4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxo-3,3',4',4'a,5',6,6',7,7',8,8',8'a-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7-yl}-4-methanesulfinylbutanamido)-3-(1H-imidazol-5-yl)propanamido]butanoyl}pyrrolidin-2-yl)formamido]-3-(1H-imidazol-5-yl)propanamido}butanoyl)pyrrolidin-2-yl]formamido}-4-methylpentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
IUPAC:1-[1-(2-{[1-(4-carbamoyl-2-{2-[(1-{4-carbamoyl-2-[2-(2-{4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxo-3,3',4',4'a,5',6,6',7,7',8,8',8'a-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7-yl}-4-methanesulfinylbutanamido)-3-(1H-imidazol-5-yl)propanamido]butanoyl}pyrrolidin-2-yl)formamido]-3-(1H-imidazol-5-yl)propanamido}butanoyl)pyrrolidin-2-yl]formamido}-4-methylpentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
InChI key:InChIKey=GRBLBISGALXJDT-UHFFFAOYSA-N

分子式:C76H108N16O18S
分子量:1565.85
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)CC(NC(=O)C1CCCN1C(=O)C(CCC(N)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)C(CCC(N)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCS(C)=O)N1Cc2c3OC4(Cc3c(O)cc2C1=O)C(C)CCC1C(C)(C)C(O)CCC41C)C(=O)N1CCCC1C(=O)N1CCCC1C(O)=O
SMILES:CC(C)CC(NC(=O)C1CCCN1C(=O)C(CCC(N)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)C(CCC(N)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCS(C)=O)N1Cc2c3OC4(Cc3c(O)cc2C1=O)C(C)CCC1C(C)(C)C(O)CCC41C)C(=O)N1CCCC1C(=O)N1CCCC1C(O)=O

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