2-adamantyl N-[(2R)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: 2-adamantyl N-[(2R)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 2-adamantyl N-[(1R)-2-(cyclohexylamino)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid 2-adamantyl ester IUPAC Name: 2-adamantyl N-[(2R)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-(cyclohexylamino)-1-(1H-indol-3-ylmethyl)-2-keto-1-methyl-ethyl]carbamic acid 2-adamantyl ester Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NC3CCCCC3)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)NC3CCCCC3)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C29H39N3O3/c1-29(27(33)31-23-7-3-2-4-8-23,16-22-17-30-25-10-6-5-9-24(22)25)32-28(34)35-26-20-12-18-11-19(14-20)15-21(26)13-18/h5-6,9-10,17-21,23,26,30H,2-4,7-8,11-16H2,1H3,(H,31,33)(H,32,34)/t18?,19?,20?,21?,26?,29-/m1/s1