HIT ID: HIT213840821
Cas No: 2803411-76-7
分子式: C38H57N7O8
分子量: 739.915
常用名: difelikefalin acetate(1024828-77-0 Free base)
常用名: difelikefalin acetate(1024828-77-0 Free base)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-amino-1-[(2R)-6-amino-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-4-methylpentanamido]hexanoyl]piperidine-4-carboxylic acid; acetic acid
IUPAC: 4-amino-1-[(2R)-6-amino-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-4-methylpentanamido]hexanoyl]piperidine-4-carboxylic acid; acetic acid
SMILES: CC(O)=O.CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O
SMILES: CC(O)=O.CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O
InChI key: MZWHRPKAHCWTOI-KGURMGBCSA-N
