5-[[4-oxidanylidene-2-[3-(pyridin-2-ylamino)propylamino]butanoyl]amino]pent-4-ynoic acid

Systemtic Name: 5-[[4-oxidanylidene-2-[3-(pyridin-2-ylamino)propylamino]butanoyl]amino]pent-4-ynoic acid Openeye Name: 5-[[4-oxo-2-[3-(2-pyridylamino)propylamino]butanoyl]amino]pent-4-ynoic acid CAS Name: 5-[[1,4-dioxo-2-[3-(2-pyridinylamino)propylamino]butyl]amino]-4-pentynoic acid IUPAC Name: 5-[[4-oxo-2-[3-(pyridin-2-ylamino)propylamino]butanoyl]amino]pent-4-ynoic acid Traditional Name: 5-[[4-keto-2-[3-(2-pyridylamino)propylamino]butanoyl]amino]pent-4-ynoic acid Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCNC(CC=O)C(=O)NC#CCCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)NCCCNC(CC=O)C(=O)NC#CCCC(=O)O

InChI

InChI=1S/C17H22N4O4/c22-13-8-14(17(25)21-10-4-2-7-16(23)24)18-11-5-12-20-15-6-1-3-9-19-15/h1,3,6,9,13-14,18H,2,5,7-8,11-12H2,(H,19,20)(H,21,25)(H,23,24)