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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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