5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pentanoic acid CAS Name: 5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)valeric acid Formula: C18H21N3O6 MolecularWeight: 375.37584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O6/c1-12-10-21(17(25)20-15(12)22)9-5-8-14(16(23)24)19-18(26)27-11-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,19,26)(H,23,24)(H,20,22,25)