[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl] N-[(2S)-2-azanyl-3-methyl-1-oxidanyl-butyl]carbamate

Systemtic Name: [4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl] N-[(2S)-2-azanyl-3-methyl-1-oxidanyl-butyl]carbamate Openeye Name: [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-cyclohexyl] N-[(2S)-2-amino-1-hydroxy-3-methyl-butyl]carbamate CAS Name: N-[(2S)-2-amino-1-hydroxy-3-methylbutyl]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-3-methylbutyl]carbamate Traditional Name: N-[(2S)-2-amino-1-hydroxy-3-methyl-butyl]carbamic acid [4-[(o-anisoylamino)methyl]-4-phenyl-cyclohexyl] ester Formula: C27H37N3O5 MolecularWeight: 483.59978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O5/c1-18(2)23(28)25(32)30-26(33)35-20-13-15-27(16-14-20,19-9-5-4-6-10-19)17-29-24(31)21-11-7-8-12-22(21)34-3/h4-12,18,20,23,25,32H,13-17,28H2,1-3H3,(H,29,31)(H,30,33)/t20?,23-,25?,27?/m0/s1