(2S)-2-(carboxycarbonylamino)-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: (2S)-2-(carboxycarbonylamino)-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: (2S)-3-benzylsulfanyl-2-(oxaloamino)propanoic acid CAS Name: (2S)-2-(oxaloamino)-3-(phenylmethylthio)propanoic acid IUPAC Name: (2S)-3-benzylsulfanyl-2-(oxaloamino)propanoic acid Traditional Name: (2S)-3-(benzylthio)-2-(oxaloamino)propionic acid Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC[C@H](C(=O)O)NC(=O)C(=O)O

InChI

InChI=1S/C12H13NO5S/c14-10(12(17)18)13-9(11(15)16)7-19-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)/t9-/m1/s1