2-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 2-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-[[1-(2-amino-6-methyl-pyrimidin-4-yl)piperidine-4-carbonyl]amino]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 2-[[[1-(2-amino-6-methyl-4-pyrimidinyl)-4-piperidinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidine-4-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-[[1-(2-amino-6-methyl-pyrimidin-4-yl)isonipecotoyl]amino]-2-(benzyloxycarbonylamino)propionic acid Formula: C22H28N6O5 MolecularWeight: 456.49492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)N2CCC(CC2)C(=O)NC(C)(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)N)N2CCC(CC2)C(=O)NC(C)(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N6O5/c1-14-12-17(25-20(23)24-14)28-10-8-16(9-11-28)18(29)26-22(2,19(30)31)27-21(32)33-13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3,(H,26,29)(H,27,32)(H,30,31)(H2,23,24,25)