methyl (3R,4R,5S)-4-acetamido-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-3-butoxy-cyclohexene-1-carboxylate

Systemtic Name: methyl (3R,4R,5S)-4-acetamido-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-3-butoxy-cyclohexene-1-carboxylate Openeye Name: methyl (3R,4R,5S)-4-acetamido-5-[bis(tert-butoxycarbonylamino)methyleneamino]-3-butoxy-cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]-3-butoxy-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3R,4R,5S)-4-acetamido-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-3-butoxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-[bis(tert-butoxycarbonylamino)methyleneamino]-3-butoxy-cyclohexene-1-carboxylic acid methyl ester Formula: C25H42N4O8 MolecularWeight: 526.62298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C=C(CC(C1NC(=O)C)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CCCCO[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C25H42N4O8/c1-10-11-12-35-18-14-16(20(31)34-9)13-17(19(18)26-15(2)30)27-21(28-22(32)36-24(3,4)5)29-23(33)37-25(6,7)8/h14,17-19H,10-13H2,1-9H3,(H,26,30)(H2,27,28,29,32,33)/t17-,18+,19+/m0/s1