HIT ID: HIT217584790
Cas No: T82470
分子式: C78H122N20O21
分子量: 1675.953
常用名: Endokinin C
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-4-carboxybutanamido]-3-(1H-imidazol-5-yl)propanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]acetamido}-4-methylpentanamido]-4-methylpentanoic acid
IUPAC: (2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-4-carboxybutanamido]-3-(1H-imidazol-5-yl)propanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]acetamido}-4-methylpentanamido]-4-methylpentanoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(O)=O
SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(O)=O
InChI key: BUSKMYUVUGMAAX-WUYFCREASA-N
