4-[aminocarbonyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-5-(1-azanylisoquinolin-7-yl)oxy-pentanoic acid

Systemtic Name: 4-[aminocarbonyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-5-(1-azanylisoquinolin-7-yl)oxy-pentanoic acid Openeye Name: 5-[(1-amino-7-isoquinolyl)oxy]-4-[carbamoyl-[1-(4-pyridyl)-4-piperidyl]amino]pentanoic acid CAS Name: 5-[(1-amino-7-isoquinolinyl)oxy]-4-[carbamoyl-(1-pyridin-4-yl-4-piperidinyl)amino]pentanoic acid IUPAC Name: 5-(1-aminoisoquinolin-7-yl)oxy-4-[carbamoyl-(1-pyridin-4-ylpiperidin-4-yl)amino]pentanoic acid Traditional Name: 5-[(1-amino-7-isoquinolyl)oxy]-4-[carbamoyl-[1-(4-pyridyl)-4-piperidyl]amino]valeric acid Formula: C25H30N6O4 MolecularWeight: 478.5435

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(C(CCC(=O)O)COC2=CC3=C(C=C2)C=CN=C3N)C(=O)N)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1N(C(CCC(=O)O)COC2=CC3=C(C=C2)C=CN=C3N)C(=O)N)C4=CC=NC=C4

InChI

InChI=1S/C25H30N6O4/c26-24-22-15-21(3-1-17(22)5-12-29-24)35-16-20(2-4-23(32)33)31(25(27)34)19-8-13-30(14-9-19)18-6-10-28-11-7-18/h1,3,5-7,10-12,15,19-20H,2,4,8-9,13-14,16H2,(H2,26,29)(H2,27,34)(H,32,33)