3-[1,1-bis(oxidanidyl)thian-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[1,1-bis(oxidanidyl)thian-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(1,1-dioxidothian-4-yl)propanoic acid CAS Name: 3-(1,1-dioxido-4-thianyl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(1,1-dioxidothian-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(1,1-dioxidothian-4-yl)propionic acid Formula: C16H21NO6S-2 MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(CCC1CC(C(=O)O)NC(=O)OCC2=CC=CC=C2)([O-])[O-]

Isomeric SMILES

C1CS(CCC1CC(C(=O)O)NC(=O)OCC2=CC=CC=C2)([O-])[O-]

InChI

InChI=1S/C16H23NO6S/c18-15(19)14(10-12-6-8-24(21,22)9-7-12)17-16(20)23-11-13-4-2-1-3-5-13/h1-5,12,14,21-22H,6-11H2,(H,17,20)(H,18,19)/p-2