HIT ID: HIT218645543

Cas No:

分子式: C64H114N10O17

分子量: 1295.669

常用名: 4-{[6,15-bis(hydroxymethyl)-3-isopropyl-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-21-(sec-butyl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl]carbamoyl}-4-[2-(3-hydroxytetradecanamido)-4-methylpentanamido]butanoic acid, Orfamide A

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 4-{[21-(butan-2-yl)-6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl]carbamoyl}-4-[2-(3-hydroxytetradecanamido)-4-methylpentanamido]butanoic acid

SMILES: CCCCCCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(O)=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(NC1=O)C(C)CC)C(C)C

InChI key: AFOLBAYDTRBYBA-UHFFFAOYSA-N