HIT ID: HIT218851930
Cas No: 92915-80-5
分子式: C63H100N20O22
分子量: 1489.611
常用名: OVA sequence (323-336)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]propanamido]-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanamido]propanamido]propanamido]-3-(1H-imidazol-5-yl)propanamido]propanamido]-4-carboxybutanamido]-3-methylpentanamido]-3-carbamoylpropanamido]pentanedioic acid
IUPAC: (2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]propanamido]-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanamido]propanamido]propanamido]-3-(1H-imidazol-5-yl)propanamido]propanamido]-4-carboxybutanamido]-3-methylpentanamido]-3-carbamoylpropanamido]pentanedioic acid
SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI key: BGWFGBKJQQYXCQ-ROVIPDGFSA-N
