[(1R,2S,4R)-4-(chloromethyl)-2-methoxy-3-(6-methyl-3-oxidanyl-hepta-1,5-dien-2-yl)-4-oxidanyl-cyclohexyl] N-[(2R)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: [(1R,2S,4R)-4-(chloromethyl)-2-methoxy-3-(6-methyl-3-oxidanyl-hepta-1,5-dien-2-yl)-4-oxidanyl-cyclohexyl] N-[(2R)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: [(1R,2S,4R)-4-(chloromethyl)-4-hydroxy-3-(2-hydroxy-5-methyl-1-methylene-hex-4-enyl)-2-methoxy-cyclohexyl] N-[(1R)-1-carbamoyl-2-methyl-propyl]carbamate CAS Name: N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]carbamic acid [(1R,2S,4R)-4-(chloromethyl)-4-hydroxy-3-(3-hydroxy-6-methylhepta-1,5-dien-2-yl)-2-methoxycyclohexyl] ester IUPAC Name: [(1R,2S,4R)-4-(chloromethyl)-4-hydroxy-3-(3-hydroxy-6-methylhepta-1,5-dien-2-yl)-2-methoxycyclohexyl] N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1R)-1-carbamoyl-2-methyl-propyl]carbamic acid [(1R,2S,4R)-4-(chloromethyl)-4-hydroxy-3-(2-hydroxy-5-methyl-1-methylene-hex-4-enyl)-2-methoxy-cyclohexyl] ester Formula: C22H37ClN2O6 MolecularWeight: 460.99198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NC(=O)OC1CCC(C(C1OC)C(=C)C(CC=C(C)C)O)(CCl)O

Isomeric SMILES

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

InChI

InChI=1S/C22H37ClN2O6/c1-12(2)7-8-15(26)14(5)17-19(30-6)16(9-10-22(17,29)11-23)31-21(28)25-18(13(3)4)20(24)27/h7,13,15-19,26,29H,5,8-11H2,1-4,6H3,(H2,24,27)(H,25,28)/t15?,16-,17?,18-,19-,22+/m1/s1