[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-[[(1S)-1-(p-tolyl)propyl]amino]ethyl] (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-phthalimido-butyric acid [2-keto-2-[[(1S)-1-(p-tolyl)propyl]amino]ethyl] ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)COC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)C)NC(=O)COC(=O)[C@H](CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C25H28N2O5S/c1-4-20(17-11-9-16(2)10-12-17)26-22(28)15-32-25(31)21(13-14-33-3)27-23(29)18-7-5-6-8-19(18)24(27)30/h5-12,20-21H,4,13-15H2,1-3H3,(H,26,28)/t20-,21-/m0/s1