HIT ID: HIT218852091
Cas No: 1315378-77-8
分子式: C72H116N18O23S
分子量: 1633.88
常用名: Rac1 Inhibitor F56, control peptide
常用名: Rac1 Inhibitor F56, control peptide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-carboxypropanamido]acetamido}hexanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-carbamoylpropanamido]-4-methylpentanamido]acetamido}-4-methylpentanamido]-3-phenylpropanamido]-3-{[(1S,2R)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid
IUPAC: (3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-carboxypropanamido]acetamido}hexanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-carbamoylpropanamido]-4-methylpentanamido]acetamido}-4-methylpentanamido]-3-phenylpropanamido]-3-{[(1S,2R)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid
SMILES: CSCC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(O)=O
SMILES: CSCC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(O)=O
InChI key: DYGBZJOTQUWNJM-BHRKYZIESA-N