methyl 2-[3-(phenylmethoxycarbonylamino)propanoylamino]-3-sulfanyl-propanoate

Systemtic Name: methyl 2-[3-(phenylmethoxycarbonylamino)propanoylamino]-3-sulfanyl-propanoate Openeye Name: methyl 2-[3-(benzyloxycarbonylamino)propanoylamino]-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[3-(phenylmethoxycarbonylamino)propanoylamino]-3-sulfanylpropanoate Traditional Name: 2-[3-(benzyloxycarbonylamino)propanoylamino]-3-mercapto-propionic acid methyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS)NC(=O)CCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CS)NC(=O)CCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H20N2O5S/c1-21-14(19)12(10-23)17-13(18)7-8-16-15(20)22-9-11-5-3-2-4-6-11/h2-6,12,23H,7-10H2,1H3,(H,16,20)(H,17,18)