HIT ID: HIT219251603
Cas No: 1242964-46-0
分子式: C71H99N17O17
分子量: 1462.675
常用名: Met-12
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]acetamido}propanamido]-3-methylbutanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid
IUPAC: (2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]acetamido}propanamido]-3-methylbutanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
InChI key: CAXAYWNJYGEWAI-QZJYLVOGSA-N
