HIT ID: HIT212658713
Cas No: 88377-68-8
分子式: C44H69N15O9S
分子量: 984.19
常用名: Adrenorphin
氢键受体数 (HBA): 16
氢键供体数 (HBD): 16
LogP: -4.4616737
IUPAC: 2-{2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-(methylsulfanyl)butanamido}-5-carbamimidamido-N-{4-carbamimidamido-1-[(1-carbamoyl-2-methylpropyl)carbamoyl]butyl}pentanamide
IUPAC: 2-{2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-(methylsulfanyl)butanamido}-5-carbamimidamido-N-{4-carbamimidamido-1-[(1-carbamoyl-2-methylpropyl)carbamoyl]butyl}pentanamide
SMILES: CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(N)=O
SMILES: CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(N)=O
InChI key: XJOQRTJDYAHKPY-UHFFFAOYSA-N
