[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoic acid

Systemtic Name: [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoic acid Openeye Name: [(1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate; 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetic acid CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)acetic acid; propanoic acid [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester IUPAC Name: [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate; 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetic acid Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetic acid; propionic acid [(1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] ester Formula: C31H39N5O6 MolecularWeight: 577.67126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)O

Isomeric SMILES

CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)O

InChI

InChI=1S/C22H29NO2.C9H10N4O4/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2/h6-15,18H,5,16-17H2,1-4H3;4H,3H2,1-2H3,(H,14,15)/t18-,22+;/m1./s1