2-azanyl-4-[[4-(carboxymethyl)phenyl]methylsulfanyl]butanoic acid

Systemtic Name: 2-azanyl-4-[[4-(carboxymethyl)phenyl]methylsulfanyl]butanoic acid Openeye Name: 2-amino-4-[[4-(carboxymethyl)phenyl]methylsulfanyl]butanoic acid CAS Name: 2-amino-4-[[4-(carboxymethyl)phenyl]methylthio]butanoic acid IUPAC Name: 2-amino-4-[[4-(carboxymethyl)phenyl]methylsulfanyl]butanoic acid Traditional Name: 2-amino-4-[[4-(carboxymethyl)benzyl]thio]butyric acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)CSCCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)CSCCC(C(=O)O)N

InChI

InChI=1S/C13H17NO4S/c14-11(13(17)18)5-6-19-8-10-3-1-9(2-4-10)7-12(15)16/h1-4,11H,5-8,14H2,(H,15,16)(H,17,18)