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

Systemtic Name: 1-adamantyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate Openeye Name: 1-adamantyl N-[(1R)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-(phenethylamino)ethyl]carbamate CAS Name: N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(phenethylamino)propan-2-yl]carbamic acid 1-adamantyl ester IUPAC Name: 1-adamantyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(phenethylamino)propan-2-yl]carbamate Traditional Name: N-[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-1-methyl-2-(phenethylamino)ethyl]carbamic acid 1-adamantyl ester Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCCC3=CC=CC=C3)NC(=O)OC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)NCCC3=CC=CC=C3)NC(=O)OC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H37N3O3/c1-30(19-25-20-33-27-10-6-5-9-26(25)27,28(35)32-12-11-21-7-3-2-4-8-21)34-29(36)37-31-16-22-13-23(17-31)15-24(14-22)18-31/h2-10,20,22-24,33H,11-19H2,1H3,(H,32,35)(H,34,36)/t22?,23?,24?,30-,31?/m1/s1