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

Systemtic Name: 2-adamantyl N-[(2R)-1-(azepan-1-ylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 2-adamantyl N-[(1R)-2-(azepan-1-ylamino)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-(1-azepanylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid 2-adamantyl ester IUPAC Name: 2-adamantyl N-[(2R)-1-(azepan-1-ylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-(azepan-1-ylamino)-1-(1H-indol-3-ylmethyl)-2-keto-1-methyl-ethyl]carbamic acid 2-adamantyl ester Formula: C29H40N4O3 MolecularWeight: 492.6529

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NN3CCCCCC3)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)NN3CCCCCC3)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C29H40N4O3/c1-29(27(34)32-33-10-6-2-3-7-11-33,17-23-18-30-25-9-5-4-8-24(23)25)31-28(35)36-26-21-13-19-12-20(15-21)16-22(26)14-19/h4-5,8-9,18-22,26,30H,2-3,6-7,10-17H2,1H3,(H,31,35)(H,32,34)/t19?,20?,21?,22?,26?,29-/m1/s1