(phenylmethyl) 3-(2-azanylethylsulfanylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 3-(2-azanylethylsulfanylcarbonylamino)-3-phenyl-propanoate Openeye Name: benzyl 3-(2-aminoethylsulfanylcarbonylamino)-3-phenyl-propanoate CAS Name: 3-[[(2-aminoethylthio)-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-aminoethylsulfanylcarbonylamino)-3-phenylpropanoate Traditional Name: 3-[(2-aminoethylthio)carbonylamino]-3-phenyl-propionic acid benzyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C2=CC=CC=C2)NC(=O)SCCN

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C2=CC=CC=C2)NC(=O)SCCN

InChI

InChI=1S/C19H22N2O3S/c20-11-12-25-19(23)21-17(16-9-5-2-6-10-16)13-18(22)24-14-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2,(H,21,23)