5-(1H-imidazol-5-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-pentanoate

Systemtic Name: 5-(1H-imidazol-5-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-pentanoate Openeye Name: 4-(tert-butoxycarbonylamino)-5-(1H-imidazol-5-yl)-3-oxo-pentanoate CAS Name: 5-(1H-imidazol-5-yl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopentanoate IUPAC Name: 5-(1H-imidazol-5-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate Traditional Name: 4-(tert-butoxycarbonylamino)-5-(1H-imidazol-5-yl)-3-keto-valerate Formula: C13H18N3O5- MolecularWeight: 296.29912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O5/c1-13(2,3)21-12(20)16-9(10(17)5-11(18)19)4-8-6-14-7-15-8/h6-7,9H,4-5H2,1-3H3,(H,14,15)(H,16,20)(H,18,19)/p-1