3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-2-benzamido-propanoic acid

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-2-benzamido-propanoic acid Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-2-benzamido-propanoic acid CAS Name: 3-[(2-amino-2-oxoethyl)thio]-2-benzamidopropanoic acid IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-2-benzamidopropanoic acid Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-2-benzamido-propionic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S/c13-10(15)7-19-6-9(12(17)18)14-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,16)(H,17,18)