3-[2-[cyclopropyl-(3-piperidin-4-ylphenyl)carbonyl-amino]ethanoylamino]pent-4-ynoic acid

Systemtic Name: 3-[2-[cyclopropyl-(3-piperidin-4-ylphenyl)carbonyl-amino]ethanoylamino]pent-4-ynoic acid Openeye Name: 3-[[2-[cyclopropyl-[3-(4-piperidyl)benzoyl]amino]acetyl]amino]pent-4-ynoic acid CAS Name: 3-[[2-[cyclopropyl-[oxo-[3-(4-piperidinyl)phenyl]methyl]amino]-1-oxoethyl]amino]-4-pentynoic acid IUPAC Name: 3-[[2-[cyclopropyl-(3-piperidin-4-ylbenzoyl)amino]acetyl]amino]pent-4-ynoic acid Traditional Name: 3-[[2-[cyclopropyl-[3-(4-piperidyl)benzoyl]amino]acetyl]amino]pent-4-ynoic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC(=O)O)NC(=O)CN(C1CC1)C(=O)C2=CC(=CC=C2)C3CCNCC3

Isomeric SMILES

C#CC(CC(=O)O)NC(=O)CN(C1CC1)C(=O)C2=CC(=CC=C2)C3CCNCC3

InChI

InChI=1S/C22H27N3O4/c1-2-18(13-21(27)28)24-20(26)14-25(19-6-7-19)22(29)17-5-3-4-16(12-17)15-8-10-23-11-9-15/h1,3-5,12,15,18-19,23H,6-11,13-14H2,(H,24,26)(H,27,28)