HIT ID: HIT218851922
Cas No: 187987-68-4
分子式: C49H82N14O14S
分子量: 1123.34
常用名: Gp100 (619-627)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]hexanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]-3-phenylpropanamido]-3-hydroxypropanamido]-3-methylbutanoic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]hexanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]-3-phenylpropanamido]-3-hydroxypropanamido]-3-methylbutanoic acid
SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
InChI key: LFNCWQRPXOCXHL-SJPMHHPLSA-N
