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

Systemtic Name: (2S)-2-azaniumyl-3-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-[[2-(3-bromoanilino)-2-oxoethyl]thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[2-(3-bromoanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[[2-(3-bromoanilino)-2-keto-ethyl]thio]propionate Formula: C11H13BrN2O3S MolecularWeight: 333.20152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrN2O3S/c12-7-2-1-3-8(4-7)14-10(15)6-18-5-9(13)11(16)17/h1-4,9H,5-6,13H2,(H,14,15)(H,16,17)/t9-/m1/s1