sodium (2R)-2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: sodium (2R)-2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: sodium (2R)-2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoate CAS Name: sodium (2R)-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propanoate IUPAC Name: sodium (2R)-3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: sodium (2R)-2-(benzyloxycarbonylamino)-3-(benzylthio)propionate Formula: C18H18NNaO4S MolecularWeight: 367.39459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSCC2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H19NO4S.Na/c20-17(21)16(13-24-12-15-9-5-2-6-10-15)19-18(22)23-11-14-7-3-1-4-8-14;/h1-10,16H,11-13H2,(H,19,22)(H,20,21);/q;+1/p-1/t16-;/m0./s1