HIT ID: HIT218848949
Cas No: 286465-26-7
分子式: C36H61N8O12P
分子量: 828.902
常用名: STAT3-IN-23
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-6-amino-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-4-methyl-2-[(2S)-3-[4-(phosphonooxy)phenyl]-2-{[(2S)-pyrrolidin-2-yl]formamido}propanamido]pentanamido]hexanamido]-3-hydroxybutanamido]hexanoic acid
IUPAC: (2S)-6-amino-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-4-methyl-2-[(2S)-3-[4-(phosphonooxy)phenyl]-2-{[(2S)-pyrrolidin-2-yl]formamido}propanamido]pentanamido]hexanamido]-3-hydroxybutanamido]hexanoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O
InChI key: JYBBBBGACUMKKU-CSJNAZMVSA-N
