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

Systemtic Name: 3-[2-[cyclopropyl-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-amino]ethanoylamino]pent-4-ynoic acid Openeye Name: 3-[[2-[cyclopropyl-[1-(4-pyridyl)piperidine-4-carbonyl]amino]acetyl]amino]pent-4-ynoic acid CAS Name: 3-[[2-[cyclopropyl-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]-1-oxoethyl]amino]-4-pentynoic acid IUPAC Name: 3-[[2-[cyclopropyl-(1-pyridin-4-ylpiperidine-4-carbonyl)amino]acetyl]amino]pent-4-ynoic acid Traditional Name: 3-[[2-[cyclopropyl-[1-(4-pyridyl)isonipecotoyl]amino]acetyl]amino]pent-4-ynoic acid Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC(=O)O)NC(=O)CN(C1CC1)C(=O)C2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

C#CC(CC(=O)O)NC(=O)CN(C1CC1)C(=O)C2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H26N4O4/c1-2-16(13-20(27)28)23-19(26)14-25(18-3-4-18)21(29)15-7-11-24(12-8-15)17-5-9-22-10-6-17/h1,5-6,9-10,15-16,18H,3-4,7-8,11-14H2,(H,23,26)(H,27,28)