(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)
HIT218810348
sdf文件结构编辑类似物检索
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
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