(2S)-2-azanyl-3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-propanoic acid Openeye Name: (2S)-2-amino-3-(2-anilino-2-oxo-ethyl)sulfanyl-propanoic acid CAS Name: (2S)-2-amino-3-[(2-anilino-2-oxoethyl)thio]propanoic acid IUPAC Name: (2S)-2-amino-3-(2-anilino-2-oxoethyl)sulfanylpropanoic acid Traditional Name: (2S)-2-amino-3-[(2-anilino-2-keto-ethyl)thio]propionic acid Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3S/c12-9(11(15)16)6-17-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m1/s1