AIDS-123654

Molecular Formula: C₂₇H₄₀N₆O₈

InChI: InChI=1/C27H40N6O8/c1-4-28-23(36)17(12-15(2)3)31-25(38)19(14-20(34)35)32-24(37)18(13-16-8-6-5-7-9-16)33-26(39)21-22(27(40)41)30-11-10-29-21/h10-11,15-19H,4-9,12-14H2,1-3H3,(H,28,36)(H,31,38)(H,32,37)(H,33,39)(H,34,35)(H,40,41)/t17-,18-,19-/m0/s1/f/h28,31-34,40H

InChIKey: InChIKey=KBKCAAWHOABCPD-AQEQNXFXDP
SMILES: CCNC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC1CCCCC1)NC(=O)C2=NC=CN=C2C(=O)O

Names:
    AIDS-123654
    AIDS123654
    3-[[(1S)-1-[[(1S)-2-carboxy-1-[[(1S)-1-(ethylcarbamoyl)-3-methyl-butyl]carbamoyl]ethyl]carbamoyl]-2-cyclohexyl-ethyl]carbamoyl]pyrazine-2-carboxylic acid
    3-{(S)-1-[(S)-2-Carboxy-1-((S)-1-ethylcarbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl

Registries:
    PubChem CID 493890
    PubChem ID 219782