[3-[(1-azanyl-1-oxidanylidene-propan-2-yl)carbamoyl]-5-(3,3-dimethylbutanoylamino)-6-oxidanyl-cyclohex-3-en-1-yl] N-prop-2-enylcarbamate

Systemtic Name: [3-[(1-azanyl-1-oxidanylidene-propan-2-yl)carbamoyl]-5-(3,3-dimethylbutanoylamino)-6-oxidanyl-cyclohex-3-en-1-yl] N-prop-2-enylcarbamate Openeye Name: [3-[(2-amino-1-methyl-2-oxo-ethyl)carbamoyl]-5-(3,3-dimethylbutanoylamino)-6-hydroxy-cyclohex-3-en-1-yl] N-allylcarbamate CAS Name: N-prop-2-enylcarbamic acid [3-[[(1-amino-1-oxopropan-2-yl)amino]-oxomethyl]-5-[(3,3-dimethyl-1-oxobutyl)amino]-6-hydroxy-1-cyclohex-3-enyl] ester IUPAC Name: [3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5-(3,3-dimethylbutanoylamino)-6-hydroxycyclohex-3-en-1-yl] N-prop-2-enylcarbamate Traditional Name: N-allylcarbamic acid [3-[(2-amino-2-keto-1-methyl-ethyl)carbamoyl]-5-(3,3-dimethylbutanoylamino)-6-hydroxy-cyclohex-3-en-1-yl] ester Formula: C20H32N4O6 MolecularWeight: 424.49128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1=CC(C(C(C1)OC(=O)NCC=C)O)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(C(=O)N)NC(=O)C1=CC(C(C(C1)OC(=O)NCC=C)O)NC(=O)CC(C)(C)C

InChI

InChI=1S/C20H32N4O6/c1-6-7-22-19(29)30-14-9-12(18(28)23-11(2)17(21)27)8-13(16(14)26)24-15(25)10-20(3,4)5/h6,8,11,13-14,16,26H,1,7,9-10H2,2-5H3,(H2,21,27)(H,22,29)(H,23,28)(H,24,25)