[1-[[4-azanyl-4-cyclohexyl-1-(1H-imidazol-5-yl)-9-methyl-6-oxidanyl-3-oxidanylidene-decan-2-yl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl] N-methyl-N-phenethyl-carbamate

Systemtic Name: [1-[[4-azanyl-4-cyclohexyl-1-(1H-imidazol-5-yl)-9-methyl-6-oxidanyl-3-oxidanylidene-decan-2-yl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl] N-methyl-N-phenethyl-carbamate Openeye Name: [2-[[3-amino-3-cyclohexyl-5-hydroxy-1-(1H-imidazol-5-ylmethyl)-8-methyl-2-oxo-nonyl]-methyl-amino]-1-benzyl-2-oxo-ethyl] N-methyl-N-phenethyl-carbamate CAS Name: N-methyl-N-phenethylcarbamic acid [1-[[4-amino-4-cyclohexyl-6-hydroxy-1-(1H-imidazol-5-yl)-9-methyl-3-oxodecan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] ester IUPAC Name: [1-[[4-amino-4-cyclohexyl-6-hydroxy-1-(1H-imidazol-5-yl)-9-methyl-3-oxodecan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] N-methyl-N-phenethylcarbamate Traditional Name: N-methyl-N-phenethyl-carbamic acid [2-[[3-amino-3-cyclohexyl-5-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-8-methyl-nonyl]-methyl-amino]-1-benzyl-2-keto-ethyl] ester Formula: C40H57N5O5 MolecularWeight: 687.91108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC(C1CCCCC1)(C(=O)C(CC2=CN=CN2)N(C)C(=O)C(CC3=CC=CC=C3)OC(=O)N(C)CCC4=CC=CC=C4)N)O

Isomeric SMILES

CC(C)CCC(CC(C1CCCCC1)(C(=O)C(CC2=CN=CN2)N(C)C(=O)C(CC3=CC=CC=C3)OC(=O)N(C)CCC4=CC=CC=C4)N)O

InChI

InChI=1S/C40H57N5O5/c1-29(2)20-21-34(46)26-40(41,32-18-12-7-13-19-32)37(47)35(25-33-27-42-28-43-33)45(4)38(48)36(24-31-16-10-6-11-17-31)50-39(49)44(3)23-22-30-14-8-5-9-15-30/h5-6,8-11,14-17,27-29,32,34-36,46H,7,12-13,18-26,41H2,1-4H3,(H,42,43)