tert-butyl N-[1-[(3-cyclohexyl-1-dimethoxyphosphoryl-1-oxidanyl-propan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(3-cyclohexyl-1-dimethoxyphosphoryl-1-oxidanyl-propan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[1-(cyclohexylmethyl)-2-dimethoxyphosphoryl-2-hydroxy-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-[(3-cyclohexyl-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(3-cyclohexyl-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[1-(cyclohexylmethyl)-2-dimethoxyphosphoryl-2-hydroxy-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C22H39N4O7P MolecularWeight: 502.541421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2CCCCC2)C(O)P(=O)(OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2CCCCC2)C(O)P(=O)(OC)OC

InChI

InChI=1S/C22H39N4O7P/c1-22(2,3)33-21(29)26-17(12-16-13-23-14-24-16)19(27)25-18(11-15-9-7-6-8-10-15)20(28)34(30,31-4)32-5/h13-15,17-18,20,28H,6-12H2,1-5H3,(H,23,24)(H,25,27)(H,26,29)