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

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] (2S,3R)-3-methyl-2-phenyl-pentanoate Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl] (2S,3R)-3-methyl-2-phenyl-pentanoate CAS Name: (2S,3R)-3-methyl-2-phenylpentanoic acid [2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate Traditional Name: (2S,3R)-3-methyl-2-phenyl-valeric acid [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C(C2=CC=CC=C2)C(C)CC)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)[C@H](C2=CC=CC=C2)[C@H](C)CC)N

InChI

InChI=1S/C21H27N3O5/c1-4-11-24-18(22)17(19(26)23-21(24)28)15(25)12-29-20(27)16(13(3)5-2)14-9-7-6-8-10-14/h6-10,13,16H,4-5,11-12,22H2,1-3H3,(H,23,26,28)/t13-,16+/m1/s1