HIT ID: HIT212709503
Cas No:
分子式: C51H76N14O15S
分子量: 1157.31
常用名: Epidermal growth factor receptor (994-1002) acetyl/amide
常用名: Epidermal growth factor receptor (994-1002) acetyl/amide
氢键受体数 (HBA): 18
氢键供体数 (HBD): 17
LogP: -6.638502
IUPAC: 3-[(1-{[1-({1-[(1-{[4-carbamimidamido-1-({1-[(1-{[1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]ethyl}carbamoyl)butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl)carbamoyl]-2-phenylethyl}carbamoyl)-2-carbamoylethyl]carbamoyl}-2-hydroxyethyl)carbamoyl]-3-acetamidopropanoic acid
IUPAC: 3-[(1-{[1-({1-[(1-{[4-carbamimidamido-1-({1-[(1-{[1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]ethyl}carbamoyl)butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl)carbamoyl]-2-phenylethyl}carbamoyl)-2-carbamoylethyl]carbamoyl}-2-hydroxyethyl)carbamoyl]-3-acetamidopropanoic acid
SMILES: CSCCC(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(C)=O)C(N)=O
SMILES: CSCCC(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(C)=O)C(N)=O
InChI key: SCMAKVKGJZYBIE-UHFFFAOYSA-N
