2-(2-azanylethanoylamino)-N-(3-cyclohexyl-2-methanoyl-aziridin-2-yl)-4-methyl-N-pyrimidin-4-yl-pentanamide

Systemtic Name: 2-(2-azanylethanoylamino)-N-(3-cyclohexyl-2-methanoyl-aziridin-2-yl)-4-methyl-N-pyrimidin-4-yl-pentanamide Openeye Name: 2-[(2-aminoacetyl)amino]-N-(3-cyclohexyl-2-formyl-aziridin-2-yl)-4-methyl-N-pyrimidin-4-yl-pentanamide CAS Name: 2-[(2-amino-1-oxoethyl)amino]-N-(3-cyclohexyl-2-formyl-2-aziridinyl)-4-methyl-N-(4-pyrimidinyl)pentanamide IUPAC Name: 2-[(2-aminoacetyl)amino]-N-(3-cyclohexyl-2-formylaziridin-2-yl)-4-methyl-N-pyrimidin-4-ylpentanamide Traditional Name: N-(3-cyclohexyl-2-formyl-ethylenimin-2-yl)-2-(glycylamino)-4-methyl-N-(4-pyrimidyl)valeramide Formula: C21H32N6O3 MolecularWeight: 416.51718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C1=NC=NC=C1)C2(C(N2)C3CCCCC3)C=O)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)N(C1=NC=NC=C1)C2(C(N2)C3CCCCC3)C=O)NC(=O)CN

InChI

InChI=1S/C21H32N6O3/c1-14(2)10-16(25-18(29)11-22)20(30)27(17-8-9-23-13-24-17)21(12-28)19(26-21)15-6-4-3-5-7-15/h8-9,12-16,19,26H,3-7,10-11,22H2,1-2H3,(H,25,29)