HIT ID: HIT214432510
Cas No: T40570L;2863657-66-1
分子式: C38H70N10O15
分子量: 907.033
常用名: LKKTETQ acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-amino-4-methylpentanamido]hexanamido]hexanamido]-3-hydroxybutanamido]-4-carboxybutanamido]-3-hydroxybutanamido]-4-carbamoylbutanoic acid; acetic acid
IUPAC: (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-amino-4-methylpentanamido]hexanamido]hexanamido]-3-hydroxybutanamido]-4-carboxybutanamido]-3-hydroxybutanamido]-4-carbamoylbutanoic acid; acetic acid
SMILES: CC(O)=O.CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
SMILES: CC(O)=O.CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
InChI key: BGXHYHQHAGFLIZ-HZAAWDMRSA-N
