3-[3-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyethanoylamino]propanoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[3-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyethanoylamino]propanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[3-[[2-[(1-benzyloxycarbonyl-4-piperidyl)oxy]acetyl]amino]propanoylamino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[1-oxo-3-[[1-oxo-2-[(1-phenylmethoxycarbonyl-4-piperidinyl)oxy]ethyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[3-[[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetyl]amino]propanoylamino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[3-[[2-[(1-carbobenzoxy-4-piperidyl)oxy]acetyl]amino]propanoylamino]propionic acid Formula: C27H34N4O9S MolecularWeight: 590.64526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1OCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H34N4O9S/c32-24(29-17-23(26(34)35)30-41(37,38)22-9-5-2-6-10-22)11-14-28-25(33)19-39-21-12-15-31(16-13-21)27(36)40-18-20-7-3-1-4-8-20/h1-10,21,23,30H,11-19H2,(H,28,33)(H,29,32)(H,34,35)