2-(6-oxidanylidene-3H-purin-9-yl)ethyl 4-oxidanylidene-4-[(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)amino]butanoate

Systemtic Name: 2-(6-oxidanylidene-3H-purin-9-yl)ethyl 4-oxidanylidene-4-[(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)amino]butanoate Openeye Name: 2-(6-oxo-3H-purin-9-yl)ethyl 4-[(2-benzyloxy-1-methyl-2-oxo-ethyl)amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoic acid 2-(6-oxo-3H-purin-9-yl)ethyl ester IUPAC Name: 2-(6-oxo-3H-purin-9-yl)ethyl 4-oxo-4-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate Traditional Name: 4-[(2-benzoxy-2-keto-1-methyl-ethyl)amino]-4-keto-butyric acid 2-(6-keto-3H-purin-9-yl)ethyl ester Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)CCC(=O)OCCN2C=NC3=C2NC=NC3=O

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)NC(=O)CCC(=O)OCCN2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C21H23N5O6/c1-14(21(30)32-11-15-5-3-2-4-6-15)25-16(27)7-8-17(28)31-10-9-26-13-24-18-19(26)22-12-23-20(18)29/h2-6,12-14H,7-11H2,1H3,(H,25,27)(H,22,23,29)