3-[5-(2-azanylpyrimidin-4-yl)pentanoylamino]-3-quinolin-3-yl-propanoic acid

Systemtic Name: 3-[5-(2-azanylpyrimidin-4-yl)pentanoylamino]-3-quinolin-3-yl-propanoic acid Openeye Name: 3-[5-(2-aminopyrimidin-4-yl)pentanoylamino]-3-(3-quinolyl)propanoic acid CAS Name: 3-[[5-(2-amino-4-pyrimidinyl)-1-oxopentyl]amino]-3-(3-quinolinyl)propanoic acid IUPAC Name: 3-[5-(2-aminopyrimidin-4-yl)pentanoylamino]-3-quinolin-3-ylpropanoic acid Traditional Name: 3-[5-(2-aminopyrimidin-4-yl)pentanoylamino]-3-(3-quinolyl)propionic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C(CC(=O)O)NC(=O)CCCCC3=NC(=NC=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C(CC(=O)O)NC(=O)CCCCC3=NC(=NC=C3)N

InChI

InChI=1S/C21H23N5O3/c22-21-23-10-9-16(25-21)6-2-4-8-19(27)26-18(12-20(28)29)15-11-14-5-1-3-7-17(14)24-13-15/h1,3,5,7,9-11,13,18H,2,4,6,8,12H2,(H,26,27)(H,28,29)(H2,22,23,25)