HIT ID: HIT214434513
Cas No:
分子式: C29H50N10O11S
分子量: 746.84
常用名: MMP-3 Inhibitor acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S)-3-{[(2R)-1-[(2R)-2-{2-[(2S)-2-[(2R)-5-carbamimidamido-2-acetamidopentanamido]-3-sulfanylpropanamido]acetamido}-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanoic acid; acetic acid
IUPAC: (3S)-3-{[(2R)-1-[(2R)-2-{2-[(2S)-2-[(2R)-5-carbamimidamido-2-acetamidopentanamido]-3-sulfanylpropanamido]acetamido}-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanoic acid; acetic acid
SMILES: CC(O)=O.CC(C)[C@@H](NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](CCCNC(N)=N)NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(O)=O)C(N)=O
SMILES: CC(O)=O.CC(C)[C@@H](NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](CCCNC(N)=N)NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(O)=O)C(N)=O
InChI key: HPZXCBOPXPMVBD-QELZQZISSA-N
