2-[[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]-phenylmethoxycarbonyl-amino]ethanoic acid

Systemtic Name: 2-[[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]-phenylmethoxycarbonyl-amino]ethanoic acid Openeye Name: 2-[benzyloxycarbonyl-[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]-phenylmethoxycarbonylamino]acetic acid IUPAC Name: 2-[[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-phenylmethoxycarbonylamino]acetic acid Traditional Name: 2-[[2-[2-(benzylthio)ethylamino]-2-keto-ethyl]-carbobenzoxy-amino]acetic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CC(=O)NCCSCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CC(=O)NCCSCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C21H24N2O5S/c24-19(22-11-12-29-16-18-9-5-2-6-10-18)13-23(14-20(25)26)21(27)28-15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,22,24)(H,25,26)