[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H23N5O5/c1-13(18(27)22-14-8-5-4-6-9-14)30-15(26)10-7-11-25-12-21-17-16(25)19(28)24(3)20(29)23(17)2/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,22,27)/t13-/m1/s1