2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(7H-purin-6-yl)propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(7H-purin-6-yl)propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(7H-purin-6-yl)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(7H-purin-6-yl)propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(7H-purin-6-yl)propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(7H-purin-6-yl)propionic acid Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C2C(=NC=N1)N=CN2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=C2C(=NC=N1)N=CN2)C(=O)O

InChI

InChI=1S/C13H17N5O4/c1-13(2,3)22-12(21)18-8(11(19)20)4-7-9-10(16-5-14-7)17-6-15-9/h5-6,8H,4H2,1-3H3,(H,18,21)(H,19,20)(H,14,15,16,17)