3-[2-[cyclopropyl-(1-pyridin-4-ylpiperidin-3-yl)carbonyl-amino]ethanoylamino]hex-4-ynoic acid

Systemtic Name: 3-[2-[cyclopropyl-(1-pyridin-4-ylpiperidin-3-yl)carbonyl-amino]ethanoylamino]hex-4-ynoic acid Openeye Name: 3-[[2-[cyclopropyl-[1-(4-pyridyl)piperidine-3-carbonyl]amino]acetyl]amino]hex-4-ynoic acid CAS Name: 3-[[2-[cyclopropyl-[oxo-(1-pyridin-4-yl-3-piperidinyl)methyl]amino]-1-oxoethyl]amino]-4-hexynoic acid IUPAC Name: 3-[[2-[cyclopropyl-(1-pyridin-4-ylpiperidine-3-carbonyl)amino]acetyl]amino]hex-4-ynoic acid Traditional Name: 3-[[2-[cyclopropyl-[1-(4-pyridyl)nipecotoyl]amino]acetyl]amino]hex-4-ynoic acid Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(CC(=O)O)NC(=O)CN(C1CC1)C(=O)C2CCCN(C2)C3=CC=NC=C3

Isomeric SMILES

CC#CC(CC(=O)O)NC(=O)CN(C1CC1)C(=O)C2CCCN(C2)C3=CC=NC=C3

InChI

InChI=1S/C22H28N4O4/c1-2-4-17(13-21(28)29)24-20(27)15-26(19-6-7-19)22(30)16-5-3-12-25(14-16)18-8-10-23-11-9-18/h8-11,16-17,19H,3,5-7,12-15H2,1H3,(H,24,27)(H,28,29)