2-[(2S)-4-(6-benzamidopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethanoic acid

Systemtic Name: 2-[(2S)-4-(6-benzamidopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethanoic acid Openeye Name: 2-[(2S)-4-(6-benzamidopurin-9-yl)-2-(tert-butoxycarbonylamino)butoxy]acetic acid CAS Name: 2-[(2S)-4-(6-benzamido-9-purinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butoxy]acetic acid IUPAC Name: 2-[(2S)-4-(6-benzamidopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]acetic acid Traditional Name: 2-[(2S)-4-(6-benzamidopurin-9-yl)-2-(tert-butoxycarbonylamino)butoxy]acetic acid Formula: C23H28N6O6 MolecularWeight: 484.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)COCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)COCC(=O)O

InChI

InChI=1S/C23H28N6O6/c1-23(2,3)35-22(33)27-16(11-34-12-17(30)31)9-10-29-14-26-18-19(24-13-25-20(18)29)28-21(32)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,27,33)(H,30,31)(H,24,25,28,32)/t16-/m0/s1