6-azanyl-3-oxidanylidene-1-(phenylmethoxycarbonylamino)hexane-2-sulfonic acid

Systemtic Name: 6-azanyl-3-oxidanylidene-1-(phenylmethoxycarbonylamino)hexane-2-sulfonic acid Openeye Name: 6-amino-1-(benzyloxycarbonylamino)-3-oxo-hexane-2-sulfonic acid CAS Name: 6-amino-3-oxo-1-(phenylmethoxycarbonylamino)-2-hexanesulfonic acid IUPAC Name: 6-amino-3-oxo-1-(phenylmethoxycarbonylamino)hexane-2-sulfonic acid Traditional Name: 6-amino-1-(benzyloxycarbonylamino)-3-keto-hexane-2-sulfonic acid Formula: C14H20N2O6S MolecularWeight: 344.3834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(C(=O)CCCN)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(C(=O)CCCN)S(=O)(=O)O

InChI

InChI=1S/C14H20N2O6S/c15-8-4-7-12(17)13(23(19,20)21)9-16-14(18)22-10-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10,15H2,(H,16,18)(H,19,20,21)