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

Systemtic Name: 2-[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)-phenylmethoxycarbonyl-amino]propyl]-phenylmethoxycarbonyl-amino]propanoic acid Openeye Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-[benzyloxycarbonyl-(2-hydroxy-1-methyl-2-oxo-ethyl)amino]propyl]-benzyloxycarbonyl-amino]propanoic acid CAS Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-[(1-hydroxy-1-oxopropan-2-yl)-phenylmethoxycarbonylamino]propyl]-phenylmethoxycarbonylamino]propanoic acid IUPAC Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-[(1-hydroxy-1-oxopropan-2-yl)-phenylmethoxycarbonylamino]propyl]-phenylmethoxycarbonylamino]propanoic acid Traditional Name: 2-[[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-[carbobenzoxy-(2-hydroxy-2-keto-1-methyl-ethyl)amino]propyl]-carbobenzoxy-amino]propionic acid Formula: C31H35N7O10 MolecularWeight: 665.6505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC(CN(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(=O)O)N(CC(CN(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/C31H35N7O10/c1-19(27(40)41)37(30(44)46-15-21-9-5-3-6-10-21)13-23(48-18-36-17-33-24-25(36)34-29(32)35-26(24)39)14-38(20(2)28(42)43)31(45)47-16-22-11-7-4-8-12-22/h3-12,17,19-20,23H,13-16,18H2,1-2H3,(H,40,41)(H,42,43)(H3,32,34,35,39)