3-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[[1-(2-amino-6-methyl-pyrimidin-4-yl)piperidine-4-carbonyl]amino]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[[[1-(2-amino-6-methyl-4-pyrimidinyl)-4-piperidinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidine-4-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[[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)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O5/c1-14-11-18(27-21(23)25-14)28-9-7-16(8-10-28)19(29)24-12-17(20(30)31)26-22(32)33-13-15-5-3-2-4-6-15/h2-6,11,16-17H,7-10,12-13H2,1H3,(H,24,29)(H,26,32)(H,30,31)(H2,23,25,27)