3-(4-methoxyphenyl)-3-[[5-(pyridin-2-ylamino)pentanoylamino]carbamoylamino]propanoic acid

Systemtic Name: 3-(4-methoxyphenyl)-3-[[5-(pyridin-2-ylamino)pentanoylamino]carbamoylamino]propanoic acid Openeye Name: 3-(4-methoxyphenyl)-3-[[5-(2-pyridylamino)pentanoylamino]carbamoylamino]propanoic acid CAS Name: 3-(4-methoxyphenyl)-3-[[oxo-[[1-oxo-5-(2-pyridinylamino)pentyl]hydrazo]methyl]amino]propanoic acid IUPAC Name: 3-(4-methoxyphenyl)-3-[[5-(pyridin-2-ylamino)pentanoylamino]carbamoylamino]propanoic acid Traditional Name: 3-(4-methoxyphenyl)-3-[[5-(2-pyridylamino)pentanoylamino]carbamoylamino]propionic acid Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NNC(=O)CCCCNC2=CC=CC=N2

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NNC(=O)CCCCNC2=CC=CC=N2

InChI

InChI=1S/C21H27N5O5/c1-31-16-10-8-15(9-11-16)17(14-20(28)29)24-21(30)26-25-19(27)7-3-5-13-23-18-6-2-4-12-22-18/h2,4,6,8-12,17H,3,5,7,13-14H2,1H3,(H,22,23)(H,25,27)(H,28,29)(H2,24,26,30)