2-[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-phenylmethoxycarbonyl-amino]propyl]-phenylmethoxycarbonyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-phenylmethoxycarbonyl-amino]propyl]-phenylmethoxycarbonyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-[benzyloxycarbonyl-(1-carboxy-2-methyl-propyl)amino]propyl]-benzyloxycarbonyl-amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)-phenylmethoxycarbonylamino]propyl]-phenylmethoxycarbonylamino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)-phenylmethoxycarbonylamino]propyl]-phenylmethoxycarbonylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-[carbobenzoxy-(1-carboxy-2-methyl-propyl)amino]propyl]-carbobenzoxy-amino]-3-methyl-butyric acid Formula: C35H43N7O10 MolecularWeight: 721.75682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC(CN(C(C(C)C)C(=O)O)C(=O)OCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)O)N(CC(CN(C(C(C)C)C(=O)O)C(=O)OCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C35H43N7O10/c1-21(2)27(31(44)45)41(34(48)50-17-23-11-7-5-8-12-23)15-25(52-20-40-19-37-26-29(40)38-33(36)39-30(26)43)16-42(28(22(3)4)32(46)47)35(49)51-18-24-13-9-6-10-14-24/h5-14,19,21-22,25,27-28H,15-18,20H2,1-4H3,(H,44,45)(H,46,47)(H3,36,38,39,43)