(2S)-2-azanyl-3-[4-(sulfomethyl)phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-(sulfomethyl)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-(sulfomethyl)phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-(sulfomethyl)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(sulfomethyl)phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-(sulfomethyl)phenyl]propionic acid Formula: C10H13NO5S MolecularWeight: 259.27892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)CS(=O)(=O)O

InChI

InChI=1S/C10H13NO5S/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H,14,15,16)/t9-/m0/s1