4-azanyl-2-(carboxyamino)-3-oxidanylidene-1-phenylmethoxy-pentane-1-sulfonic acid

Systemtic Name: 4-azanyl-2-(carboxyamino)-3-oxidanylidene-1-phenylmethoxy-pentane-1-sulfonic acid Openeye Name: 4-amino-1-benzyloxy-2-(carboxyamino)-3-oxo-pentane-1-sulfonic acid CAS Name: 4-amino-2-(carboxyamino)-3-oxo-1-phenylmethoxy-1-pentanesulfonic acid IUPAC Name: 4-amino-2-(carboxyamino)-3-oxo-1-phenylmethoxypentane-1-sulfonic acid Traditional Name: 4-amino-1-benzoxy-2-(carboxyamino)-3-keto-pentane-1-sulfonic acid Formula: C13H18N2O7S MolecularWeight: 346.35622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C(OCC1=CC=CC=C1)S(=O)(=O)O)NC(=O)O)N

Isomeric SMILES

CC(C(=O)C(C(OCC1=CC=CC=C1)S(=O)(=O)O)NC(=O)O)N

InChI

InChI=1S/C13H18N2O7S/c1-8(14)11(16)10(15-13(17)18)12(23(19,20)21)22-7-9-5-3-2-4-6-9/h2-6,8,10,12,15H,7,14H2,1H3,(H,17,18)(H,19,20,21)