tert-butyl 2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate

Systemtic Name: tert-butyl 2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate Openeye Name: tert-butyl 2-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]propanoate CAS Name: 2-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]propionic acid tert-butyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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