HIT ID: HIT214432472
Cas No: T37207L;2863657-78-5
分子式: C55H103N15O14
分子量: 1198.52
常用名: Cdk5 Substrate acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-{[(2S)-1-[(2S,3R)-2-[(2S)-6-amino-2-{[(2S)-pyrrolidin-2-yl]formamido}hexanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}hexanamido]hexanamido]propanamido]hexanamido]hexanamido]-4-methylpentanoic acid; acetic acid
IUPAC: (2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-{[(2S)-1-[(2S,3R)-2-[(2S)-6-amino-2-{[(2S)-pyrrolidin-2-yl]formamido}hexanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}hexanamido]hexanamido]propanamido]hexanamido]hexanamido]-4-methylpentanoic acid; acetic acid
SMILES: CC(O)=O.CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(O)=O
SMILES: CC(O)=O.CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(O)=O
InChI key: XPRIYFHLXPQREY-ZCKAZPTLSA-N
