HIT ID: HIT217584690
Cas No: T81772
分子式: C80H105N21O27S
分子量: 1824.9
常用名: MOG (92–106), mouse, rat
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]acetamido}acetamido)-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-carboxypropanamido]-3-(1H-imidazol-5-yl)propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]acetamido}acetamido)-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-carboxypropanamido]-3-(1H-imidazol-5-yl)propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid
SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O
SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O
InChI key: DXDCKUPARGLTIX-HOGNHCGESA-N
