3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-2-pentan-3-yl-cyclopenten-1-yl)amino]propanoic acid

Systemtic Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-2-pentan-3-yl-cyclopenten-1-yl)amino]propanoic acid Openeye Name: 2-[[2-(1-ethylpropyl)-3-oxo-cyclopenten-1-yl]amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propanoic acid CAS Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-pentan-3-yl-1-cyclopentenyl)amino]propanoic acid IUPAC Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-pentan-3-ylcyclopenten-1-yl)amino]propanoic acid Traditional Name: 2-[[2-(1-ethylpropyl)-3-keto-cyclopenten-1-yl]amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propionic acid Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C(CCC1=O)NC(CC2=CC=C(C=C2)NC3=NC=CC4=C3C=CN=C4)C(=O)O

Isomeric SMILES

CCC(CC)C1=C(CCC1=O)NC(CC2=CC=C(C=C2)NC3=NC=CC4=C3C=CN=C4)C(=O)O

InChI

InChI=1S/C27H30N4O3/c1-3-18(4-2)25-22(9-10-24(25)32)31-23(27(33)34)15-17-5-7-20(8-6-17)30-26-21-12-13-28-16-19(21)11-14-29-26/h5-8,11-14,16,18,23,31H,3-4,9-10,15H2,1-2H3,(H,29,30)(H,33,34)