(2S)-2-azanyl-3-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: (2S)-2-amino-3-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: (2S)-2-amino-3-[[2-(3-bromoanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: (2S)-2-amino-3-[2-(3-bromoanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: (2S)-2-amino-3-[[2-(3-bromoanilino)-2-keto-ethyl]thio]propionic acid Formula: C11H13BrN2O3S MolecularWeight: 333.20152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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