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

Systemtic Name: methyl 2-methyl-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate Openeye Name: methyl 2-[[(2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-2-methyl-propanoate CAS Name: 2-methyl-2-[[(2S)-4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-2-methyl-propionic acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-18(2,16(22)24-3)20-15(21)14(10-11-26-4)19-17(23)25-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,19,23)(H,20,21)/t14-/m0/s1