2-(phenoxysulfinylamino)-3-[3-(piperidin-4-ylcarbonylamino)propanoylamino]propanoic acid

Systemtic Name: 2-(phenoxysulfinylamino)-3-[3-(piperidin-4-ylcarbonylamino)propanoylamino]propanoic acid Openeye Name: 2-(phenoxysulfinylamino)-3-[3-(piperidine-4-carbonylamino)propanoylamino]propanoic acid CAS Name: 3-[[1-oxo-3-[[oxo(4-piperidinyl)methyl]amino]propyl]amino]-2-(phenoxysulfinylamino)propanoic acid IUPAC Name: 2-(phenoxysulfinylamino)-3-[3-(piperidine-4-carbonylamino)propanoylamino]propanoic acid Traditional Name: 3-[3-(isonipecotoylamino)propanoylamino]-2-(phenoxysulfinylamino)propionic acid Formula: C18H26N4O6S MolecularWeight: 426.48724

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NCCC(=O)NCC(C(=O)O)NS(=O)OC2=CC=CC=C2

Isomeric SMILES

C1CNCCC1C(=O)NCCC(=O)NCC(C(=O)O)NS(=O)OC2=CC=CC=C2

InChI

InChI=1S/C18H26N4O6S/c23-16(8-11-20-17(24)13-6-9-19-10-7-13)21-12-15(18(25)26)22-29(27)28-14-4-2-1-3-5-14/h1-5,13,15,19,22H,6-12H2,(H,20,24)(H,21,23)(H,25,26)