(2S)-3-[(4-aminocarbonylphenyl)methylsulfanyl]-2-azaniumyl-propanoate

Systemtic Name: (2S)-3-[(4-aminocarbonylphenyl)methylsulfanyl]-2-azaniumyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[(4-carbamoylphenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(4-carbamoylphenyl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(4-carbamoylphenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[(4-carbamoylbenzyl)thio]propionate Formula: C11H14N2O3S MolecularWeight: 254.30546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(C(=O)[O-])[NH3+])C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CSC[C@H](C(=O)[O-])[NH3+])C(=O)N

InChI

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