methyl 2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H30N2O5S/c1-14(2)12-17(18(23)21-16(10-11-28-4)19(24)26-3)22-20(25)27-13-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13H2,1-4H3,(H,21,23)(H,22,25)