[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] (2S,3R)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] (2S,3R)-3-methyl-2-phenyl-pentanoate Openeye Name: [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-pyrimidin-5-yl)-2-oxo-ethyl] (2S,3R)-3-methyl-2-phenyl-pentanoate CAS Name: (2S,3R)-3-methyl-2-phenylpentanoic acid [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate Traditional Name: (2S,3R)-3-methyl-2-phenyl-valeric acid [2-(4-amino-2,6-diketo-1-methyl-3-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C(C2=CC=CC=C2)C(C)CC)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)[C@H](C2=CC=CC=C2)[C@H](C)CC)N

InChI

InChI=1S/C22H29N3O5/c1-5-12-25-19(23)18(20(27)24(4)22(25)29)16(26)13-30-21(28)17(14(3)6-2)15-10-8-7-9-11-15/h7-11,14,17H,5-6,12-13,23H2,1-4H3/t14-,17+/m1/s1