4-(1-aminocarbonylpiperidin-4-yl)piperidine-1-carboxamide; 2-[(1-azanylisoquinolin-7-yl)carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: 4-(1-aminocarbonylpiperidin-4-yl)piperidine-1-carboxamide; 2-[(1-azanylisoquinolin-7-yl)carbonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(1-aminoisoquinoline-7-carbonyl)amino]-3-methyl-pentanoic acid; 4-(1-carbamoyl-4-piperidyl)piperidine-1-carboxamide CAS Name: 2-[[(1-amino-7-isoquinolinyl)-oxomethyl]amino]-3-methylpentanoic acid; 4-(1-carbamoyl-4-piperidinyl)-1-piperidinecarboxamide IUPAC Name: 2-[(1-aminoisoquinoline-7-carbonyl)amino]-3-methylpentanoic acid; 4-(1-carbamoylpiperidin-4-yl)piperidine-1-carboxamide Traditional Name: 2-[(1-aminoisoquinoline-7-carbonyl)amino]-3-methyl-valeric acid; 4-(1-carbamoyl-4-piperidyl)piperidine-1-carboxamide Formula: C28H41N7O5 MolecularWeight: 555.66904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC2=C(C=C1)C=CN=C2N.C1CN(CCC1C2CCN(CC2)C(=O)N)C(=O)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1=CC2=C(C=C1)C=CN=C2N.C1CN(CCC1C2CCN(CC2)C(=O)N)C(=O)N

InChI

InChI=1S/C16H19N3O3.C12H22N4O2/c1-3-9(2)13(16(21)22)19-15(20)11-5-4-10-6-7-18-14(17)12(10)8-11;13-11(17)15-5-1-9(2-6-15)10-3-7-16(8-4-10)12(14)18/h4-9,13H,3H2,1-2H3,(H2,17,18)(H,19,20)(H,21,22);9-10H,1-8H2,(H2,13,17)(H2,14,18)