(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Molecular Formula: C21H31N3O5S


InChI: InChI=1/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1/f/h22-24,28H

InChIKey: InChIKey=PRQROPMIIGLWRP-NTXJAGSHDU
SMILES: CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCSC)NC=O

Names:
    (2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Registries:
    PubChem CID 443295
    PubChem ID 10299271