2-[(2R,4S)-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-[(2R,4S)-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-[(2R,4S)-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-(tert-butoxycarbonylamino)pyrrolidin-1-yl]acetic acid CAS Name: 2-[(2R,4S)-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]acetic acid IUPAC Name: 2-[(2R,4S)-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid Traditional Name: 2-[(2R,4S)-2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-(tert-butoxycarbonylamino)pyrrolidino]acetic acid Formula: C17H25N7O5 MolecularWeight: 407.4243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC(N(C1)CC(=O)O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1C[C@@H](N(C1)CC(=O)O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C17H25N7O5/c1-17(2,3)29-16(28)20-9-4-10(23(5-9)7-11(25)26)6-24-8-19-12-13(24)21-15(18)22-14(12)27/h8-10H,4-7H2,1-3H3,(H,20,28)(H,25,26)(H3,18,21,22,27)/t9-,10+/m0/s1