2,5-bis(azanyl)-4-oxidanylidene-3-phenylmethoxy-3-sulfo-hexanoic acid

Systemtic Name: 2,5-bis(azanyl)-4-oxidanylidene-3-phenylmethoxy-3-sulfo-hexanoic acid Openeye Name: 2,5-diamino-3-benzyloxy-4-oxo-3-sulfo-hexanoic acid CAS Name: 2,5-diamino-4-oxo-3-phenylmethoxy-3-sulfohexanoic acid IUPAC Name: 2,5-diamino-4-oxo-3-phenylmethoxy-3-sulfohexanoic acid Traditional Name: 2,5-diamino-3-benzoxy-4-keto-3-sulfo-hexanoic acid Formula: C13H18N2O7S MolecularWeight: 346.35622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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