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

Systemtic Name: 2-[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-[(3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-phenylmethoxycarbonyl-amino]propyl]-phenylmethoxycarbonyl-amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-[benzyloxycarbonyl-(1-carboxy-2-methyl-butyl)amino]propyl]-benzyloxycarbonyl-amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-[(1-hydroxy-3-methyl-1-oxopentan-2-yl)-phenylmethoxycarbonylamino]propyl]-phenylmethoxycarbonylamino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-[(1-hydroxy-3-methyl-1-oxopentan-2-yl)-phenylmethoxycarbonylamino]propyl]-phenylmethoxycarbonylamino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-[carbobenzoxy-(1-carboxy-2-methyl-butyl)amino]propyl]-carbobenzoxy-amino]-3-methyl-valeric acid Formula: C37H47N7O10 MolecularWeight: 749.80998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H47N7O10/c1-5-23(3)29(33(46)47)43(36(50)52-19-25-13-9-7-10-14-25)17-27(54-22-42-21-39-28-31(42)40-35(38)41-32(28)45)18-44(30(34(48)49)24(4)6-2)37(51)53-20-26-15-11-8-12-16-26/h7-16,21,23-24,27,29-30H,5-6,17-20,22H2,1-4H3,(H,46,47)(H,48,49)(H3,38,40,41,45)