HIT ID: HIT218810348

Cas No:

分子式: C44H72N10O15

分子量: 981.115

常用名: (2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]-4-carboxybutanamido]hexanamido]-4-methylpentanoic acid; acetic acid, OVA-A2 Peptide acetate(149755-57-7 free base)

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]-4-carboxybutanamido]hexanamido]-4-methylpentanoic acid; acetic acid

SMILES: CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI key: UFZNEZVENCONQB-ILVASHMWSA-N