[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl] N-[(2S)-2-azanyl-4-methyl-1-oxidanyl-pentyl]carbamate

Systemtic Name: [4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl] N-[(2S)-2-azanyl-4-methyl-1-oxidanyl-pentyl]carbamate Openeye Name: [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-cyclohexyl] N-[(2S)-2-amino-1-hydroxy-4-methyl-pentyl]carbamate CAS Name: N-[(2S)-2-amino-1-hydroxy-4-methylpentyl]carbamic acid [4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenylcyclohexyl] ester IUPAC Name: [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-[(2S)-2-amino-1-hydroxy-4-methylpentyl]carbamate Traditional Name: N-[(2S)-2-amino-1-hydroxy-4-methyl-pentyl]carbamic acid [4-[(o-anisoylamino)methyl]-4-phenyl-cyclohexyl] ester Formula: C28H39N3O5 MolecularWeight: 497.62636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(NC(=O)OC1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3)O)N

Isomeric SMILES

CC(C)C[C@@H](C(NC(=O)OC1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3)O)N

InChI

InChI=1S/C28H39N3O5/c1-19(2)17-23(29)26(33)31-27(34)36-21-13-15-28(16-14-21,20-9-5-4-6-10-20)18-30-25(32)22-11-7-8-12-24(22)35-3/h4-12,19,21,23,26,33H,13-18,29H2,1-3H3,(H,30,32)(H,31,34)/t21?,23-,26?,28?/m0/s1