HIT ID: HIT217584931
Cas No: T81450
分子式: C37H65N9O13
分子量: 843.977
常用名: PKCε Inhibitor Scramble Peptide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-{[(1S,2R)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-4-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-hydroxypropanamido]butanoic acid
IUPAC: (4S)-4-{[(1S,2R)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-4-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-hydroxypropanamido]butanoic acid
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O
InChI key: SDHLKAOQRLLRKT-XMTFRXHISA-N
