3-(1H-imidazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate Openeye Name: 2-[2-(tert-butoxycarbonylamino)ethylamino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]propanoate IUPAC Name: 3-(1H-imidazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate Traditional Name: 2-[2-(tert-butoxycarbonylamino)ethylamino]-3-(1H-imidazol-5-yl)propionate Formula: C13H21N4O4- MolecularWeight: 297.33024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC(CC1=CN=CN1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC(CC1=CN=CN1)C(=O)[O-]

InChI

InChI=1S/C13H22N4O4/c1-13(2,3)21-12(20)16-5-4-15-10(11(18)19)6-9-7-14-8-17-9/h7-8,10,15H,4-6H2,1-3H3,(H,14,17)(H,16,20)(H,18,19)/p-1