(phenylmethyl) 2-(3-azanylpropylsulfanyl)-2-(phenylmethoxycarbonylamino)ethanoate

Systemtic Name: (phenylmethyl) 2-(3-azanylpropylsulfanyl)-2-(phenylmethoxycarbonylamino)ethanoate Openeye Name: benzyl 2-(3-aminopropylsulfanyl)-2-(benzyloxycarbonylamino)acetate CAS Name: 2-(3-aminopropylthio)-2-(phenylmethoxycarbonylamino)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-aminopropylsulfanyl)-2-(phenylmethoxycarbonylamino)acetate Traditional Name: 2-(3-aminopropylthio)-2-(benzyloxycarbonylamino)acetic acid benzyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(NC(=O)OCC2=CC=CC=C2)SCCCN

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(NC(=O)OCC2=CC=CC=C2)SCCCN

InChI

InChI=1S/C20H24N2O4S/c21-12-7-13-27-18(19(23)25-14-16-8-3-1-4-9-16)22-20(24)26-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15,21H2,(H,22,24)