2-[[[1-[4-(azetidin-3-yl)butanoyl]piperidin-3-yl]carbonylamino]methyl]but-3-ynoic acid

Systemtic Name: 2-[[[1-[4-(azetidin-3-yl)butanoyl]piperidin-3-yl]carbonylamino]methyl]but-3-ynoic acid Openeye Name: 2-[[[1-[4-(azetidin-3-yl)butanoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid CAS Name: 2-[[[[1-[4-(3-azetidinyl)-1-oxobutyl]-3-piperidinyl]-oxomethyl]amino]methyl]-3-butynoic acid IUPAC Name: 2-[[[1-[4-(azetidin-3-yl)butanoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid Traditional Name: 2-[[[1-[4-(azetidin-3-yl)butanoyl]nipecotoyl]amino]methyl]but-3-ynoic acid Formula: C18H27N3O4 MolecularWeight: 349.42468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC(CNC(=O)C1CCCN(C1)C(=O)CCCC2CNC2)C(=O)O

Isomeric SMILES

C#CC(CNC(=O)C1CCCN(C1)C(=O)CCCC2CNC2)C(=O)O

InChI

InChI=1S/C18H27N3O4/c1-2-14(18(24)25)11-20-17(23)15-6-4-8-21(12-15)16(22)7-3-5-13-9-19-10-13/h1,13-15,19H,3-12H2,(H,20,23)(H,24,25)