(2S)-2-azaniumyl-3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[2-(benzylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[[2-(benzylamino)-2-keto-ethyl]thio]propionate Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H16N2O3S/c13-10(12(16)17)7-18-8-11(15)14-6-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)(H,16,17)/t10-/m1/s1