3-(2-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-(2-amino-7-pyrrolo[2,3-d]pyrimidinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C14H19N5O4 MolecularWeight: 321.33176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CN1C=CC2=CN=C(N=C21)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CN1C=CC2=CN=C(N=C21)N)C(=O)O

InChI

InChI=1S/C14H19N5O4/c1-14(2,3)23-13(22)17-9(11(20)21)7-19-5-4-8-6-16-12(15)18-10(8)19/h4-6,9H,7H2,1-3H3,(H,17,22)(H,20,21)(H2,15,16,18)