propan-2-yl 3-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoylamino]-3-phenyl-propanoate CAS Name: 3-[[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxobutyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoylamino]-3-phenylpropanoate Traditional Name: 3-[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butanoylamino]-3-phenyl-propionic acid isopropyl ester Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O5/c1-15(2)33-19(30)13-17(16-9-6-5-7-10-16)25-18(29)11-8-12-28-14-24-21-20(28)22(31)27(4)23(32)26(21)3/h5-7,9-10,14-15,17H,8,11-13H2,1-4H3,(H,25,29)