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

Systemtic Name: 2-[[[1-[3-(azetidin-3-yl)propanoyl]piperidin-3-yl]carbonylamino]methyl]but-3-ynoic acid Openeye Name: 2-[[[1-[3-(azetidin-3-yl)propanoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid CAS Name: 2-[[[[1-[3-(3-azetidinyl)-1-oxopropyl]-3-piperidinyl]-oxomethyl]amino]methyl]-3-butynoic acid IUPAC Name: 2-[[[1-[3-(azetidin-3-yl)propanoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid Traditional Name: 2-[[[1-[3-(azetidin-3-yl)propanoyl]nipecotoyl]amino]methyl]but-3-ynoic acid Formula: C17H25N3O4 MolecularWeight: 335.3981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC(CNC(=O)C1CCCN(C1)C(=O)CCC2CNC2)C(=O)O

Isomeric SMILES

C#CC(CNC(=O)C1CCCN(C1)C(=O)CCC2CNC2)C(=O)O

InChI

InChI=1S/C17H25N3O4/c1-2-13(17(23)24)10-19-16(22)14-4-3-7-20(11-14)15(21)6-5-12-8-18-9-12/h1,12-14,18H,3-11H2,(H,19,22)(H,23,24)