AIDS-122295

Molecular Formula: C₃₀H₄₂FN₃O₆S

InChI: InChI=1/C30H42FN3O6S/c1-4-40-27(37)16-14-23(13-15-26(32)36)33-29(38)21(17-20-9-11-22(31)12-10-20)18-25(35)28(19(2)3)34-30(39)41-24-7-5-6-8-24/h9-12,14,16,19,21,23-24,28H,4-8,13,15,17-18H2,1-3H3,(H2,32,36)(H,33,38)(H,34,39)/b16-14+/t21-,23+,28+/m1/s1/f/h33-34H,32H2

InChIKey: InChIKey=VNEKXZFOAMTPSF-LDWDAOIPDQ
SMILES: CCOC(=O)C=CC(CCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)F)CC(=O)C(C(C)C)NC(=O)SC2CCCC2

Names:
    AIDS-122295
    AIDS122295
    ethyl (E,4S)-6-carbamoyl-4-[[(2R,5S)-5-(cyclopentylsulfanylcarbonylamino)-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-heptanoyl]amino]hex-2-enoate
    2-Heptenoic acid, 7-amino-4-[[(2R,5S)-5-[[(cyclopentylthio)carbonyl]amino]-2-[(4-fluorophenyl)methyl]-6-methyl-1,4-dioxoheptyl]amino]-7-oxo-, ethyl ester, (2E,4S)-

Registries:
    PubChem CID 6476892
    PubChem ID 218689