(2S)-2-azanyl-4-[[4-(carboxymethylcarbamoyl)phenyl]methylsulfinyl]butanoic acid

Systemtic Name: (2S)-2-azanyl-4-[[4-(carboxymethylcarbamoyl)phenyl]methylsulfinyl]butanoic acid Openeye Name: (2S)-2-amino-4-[[4-(carboxymethylcarbamoyl)phenyl]methylsulfinyl]butanoic acid CAS Name: (2S)-2-amino-4-[[4-[(carboxymethylamino)-oxomethyl]phenyl]methylsulfinyl]butanoic acid IUPAC Name: (2S)-2-amino-4-[[4-(carboxymethylcarbamoyl)phenyl]methylsulfinyl]butanoic acid Traditional Name: (2S)-2-amino-4-[4-(carboxymethylcarbamoyl)benzyl]sulfinyl-butyric acid Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CS(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O

InChI

InChI=1S/C14H18N2O6S/c15-11(14(20)21)5-6-23(22)8-9-1-3-10(4-2-9)13(19)16-7-12(17)18/h1-4,11H,5-8,15H2,(H,16,19)(H,17,18)(H,20,21)/t11-,23?/m0/s1