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

Systemtic Name: 2-(phenoxysulfinylamino)-3-[2-(piperidin-4-ylcarbonylamino)ethanoylamino]propanoic acid Openeye Name: 2-(phenoxysulfinylamino)-3-[[2-(piperidine-4-carbonylamino)acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo(4-piperidinyl)methyl]amino]ethyl]amino]-2-(phenoxysulfinylamino)propanoic acid IUPAC Name: 2-(phenoxysulfinylamino)-3-[[2-(piperidine-4-carbonylamino)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(isonipecotoylamino)acetyl]amino]-2-(phenoxysulfinylamino)propionic acid Formula: C17H24N4O6S MolecularWeight: 412.46066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O6S/c22-15(11-20-16(23)12-6-8-18-9-7-12)19-10-14(17(24)25)21-28(26)27-13-4-2-1-3-5-13/h1-5,12,14,18,21H,6-11H2,(H,19,22)(H,20,23)(H,24,25)