AIDS-122293

Molecular Formula: C29H40FN3O7S


InChI: InChI=1/C29H40FN3O7S/c1-4-39-25(35)16-14-21(13-15-24(31)34)32-27(36)23(17-19-9-11-20(30)12-10-19)40-28(37)26(18(2)3)33-29(38)41-22-7-5-6-8-22/h9-12,14,16,18,21-23,26H,4-8,13,15,17H2,1-3H3,(H2,31,34)(H,32,36)(H,33,38)/b16-14+/t21-,23-,26-/m0/s1/f/h32-33H,31H2

InChIKey: InChIKey=KIKHKTAEPITLMZ-FLPWYTEJDL
SMILES: CCOC(=O)C=CC(CCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)F)OC(=O)C(C(C)C)NC(=O)SC2CCCC2

Names:
    AIDS-122293
    AIDS122293
    ethyl (E,4S)-6-carbamoyl-4-[[(2S)-2-[(2S)-2-(cyclopentylsulfanylcarbonylamino)-3-methyl-butanoyl]oxy-3-(4-fluorophenyl)propanoyl]amino]hex-2-enoate
    2(E)-Heptenoic acid, 7-amino-(4S)-4-[[(2S)-2-[[(2S)-2-[[(cyclopentylthio)carbonyl]amino]-3-methyl-1-oxobutyl]oxy]-3-(4-fluorophenyl)-1-oxopropyl]amino]-7-oxo-, ethyl ester

Registries:
    PubChem CID 6476890
    PubChem ID 218687