HIT ID: HIT218661592

Cas No: 118850-73-0

分子式: C43H76N12O15S2

分子量: 1065.27

常用名: (3S)-3-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]hexanamido]-3-methylbutanamido]-4-methylpentanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid, Antiflammin 3

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (3S)-3-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]hexanamido]-3-methylbutanamido]-4-methylpentanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

SMILES: CSCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O

InChI key: GYNQDZNXDPVSHD-AKLVUHSOSA-N