cyclohexyl (3S)-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: cyclohexyl (3S)-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: cyclohexyl (3S)-3-(tert-butoxycarbonylamino)-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]-4-oxo-butanoate CAS Name: (3S)-4-[2-(2-methyl-5-nitro-1-imidazolyl)ethylamino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (3S)-4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-keto-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]butyric acid cyclohexyl ester Formula: C21H33N5O7 MolecularWeight: 467.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(=O)C(CC(=O)OC2CCCCC2)NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC(=O)[C@H](CC(=O)OC2CCCCC2)NC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H33N5O7/c1-14-23-13-17(26(30)31)25(14)11-10-22-19(28)16(24-20(29)33-21(2,3)4)12-18(27)32-15-8-6-5-7-9-15/h13,15-16H,5-12H2,1-4H3,(H,22,28)(H,24,29)/t16-/m0/s1