4-oxidanylidene-4-phenylmethoxy-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butane-1-sulfonic acid

Systemtic Name: 4-oxidanylidene-4-phenylmethoxy-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butane-1-sulfonic acid Openeye Name: 4-benzyloxy-2-[2-(benzyloxycarbonylamino)propanoylamino]-4-oxo-butane-1-sulfonic acid CAS Name: 4-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-4-phenylmethoxy-1-butanesulfonic acid IUPAC Name: 4-oxo-4-phenylmethoxy-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butane-1-sulfonic acid Traditional Name: 4-benzoxy-2-[2-(benzyloxycarbonylamino)propanoylamino]-4-keto-butane-1-sulfonic acid Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)OCC1=CC=CC=C1)CS(=O)(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC(CC(=O)OCC1=CC=CC=C1)CS(=O)(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O8S/c1-16(23-22(27)32-14-18-10-6-3-7-11-18)21(26)24-19(15-33(28,29)30)12-20(25)31-13-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3,(H,23,27)(H,24,26)(H,28,29,30)