HIT ID: HIT212709345
Cas No:
分子式: C46H74N8O10
分子量: 899.144
常用名: surface antigen (208-215) [Hepatitis B Virus]
常用名: surface antigen (208-215) [Hepatitis B Virus]
氢键受体数 (HBA): 11
氢键供体数 (HBD): 8
LogP: -0.34976533
IUPAC: 2-{[1-(2-{2-[(1-{2-[2-(2-amino-3-methylpentanamido)-4-methylpentanamido]-3-hydroxypropanoyl}pyrrolidin-2-yl)formamido]-3-phenylpropanamido}-4-methylpentanoyl)pyrrolidin-2-yl]formamido}-4-methylpentanoic acid
IUPAC: 2-{[1-(2-{2-[(1-{2-[2-(2-amino-3-methylpentanamido)-4-methylpentanamido]-3-hydroxypropanoyl}pyrrolidin-2-yl)formamido]-3-phenylpropanamido}-4-methylpentanoyl)pyrrolidin-2-yl]formamido}-4-methylpentanoic acid
SMILES: CCC(C)C(N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(O)=O
SMILES: CCC(C)C(N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(O)=O
InChI key: YOHSEFYXDZHYNW-UHFFFAOYSA-N
