HIT ID: HIT214318082
Cas No: 109539-57-3
分子式: C62H111N11O14
分子量: 1234.633
常用名: Leucinostatin K
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-(1-{[1-({1-[(1-{[1-({1-[(2-{[1-(dimethyl-oxo-$l^{5}-azanyl)propan-2-yl]carbamoyl}ethyl)carbamoyl]-1-methylethyl}carbamoyl)-1-methylethyl]carbamoyl}-3-methylbutyl)carbamoyl]-3-methylbutyl}carbamoyl)-1-methylethyl]carbamoyl}-2-hydroxy-3-methylbutyl)-6-hydroxy-4-methyl-2-{[4-methyl-1-(4-methylhex-2-enoyl)pyrrolidin-2-yl]formamido}-8-oxodecanamide
IUPAC: N-(1-{[1-({1-[(1-{[1-({1-[(2-{[1-(dimethyl-oxo-$l^{5}-azanyl)propan-2-yl]carbamoyl}ethyl)carbamoyl]-1-methylethyl}carbamoyl)-1-methylethyl]carbamoyl}-3-methylbutyl)carbamoyl]-3-methylbutyl}carbamoyl)-1-methylethyl]carbamoyl}-2-hydroxy-3-methylbutyl)-6-hydroxy-4-methyl-2-{[4-methyl-1-(4-methylhex-2-enoyl)pyrrolidin-2-yl]formamido}-8-oxodecanamide
SMILES: CCC(C)C=CC(=O)N1CC(C)CC1C(=O)NC(CC(C)CC(O)CC(=O)CC)C(=O)NC(C(O)C(C)C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)(C)=O |w:5.5|
SMILES: CCC(C)C=CC(=O)N1CC(C)CC1C(=O)NC(CC(C)CC(O)CC(=O)CC)C(=O)NC(C(O)C(C)C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)(C)=O |w:5.5|
InChI key: QAJHIWCONAFMCM-UHFFFAOYSA-N