methyl (2S)-3-methyl-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoate Openeye Name: methyl (2S)-2-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-methyl-pentanoate CAS Name: (2S)-3-methyl-2-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-methyl-valeric acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)[C@@H](C(=O)OC)NC(=O)C(CCSC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H30N2O5S/c1-5-14(2)17(19(24)26-3)22-18(23)16(11-12-28-4)21-20(25)27-13-15-9-7-6-8-10-15/h6-10,14,16-17H,5,11-13H2,1-4H3,(H,21,25)(H,22,23)/t14?,16?,17-/m0/s1