HIT ID: HIT218850367
Cas No:
分子式: C74H122N18O25S
分子量: 1695.95
常用名: [Des-Tyr1]-gamma-Endorphin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-4-carboxybutanamido]hexanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-methylbutanamido]-3-hydroxybutanamido]-4-methylpentanoic acid
IUPAC: (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-4-carboxybutanamido]hexanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-methylbutanamido]-3-hydroxybutanamido]-4-methylpentanoic acid
SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O
InChI key: YQEWLSJJOSZFHG-DSFKZNPVSA-N