methyl 1-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[(2R)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C31H41N3O5 MolecularWeight: 535.67434

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NC3(CCCCC3)C(=O)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)NC3(CCCCC3)C(=O)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C31H41N3O5/c1-30(17-23-18-32-25-9-5-4-8-24(23)25,27(35)33-31(28(36)38-2)10-6-3-7-11-31)34-29(37)39-26-21-13-19-12-20(15-21)16-22(26)14-19/h4-5,8-9,18-22,26,32H,3,6-7,10-17H2,1-2H3,(H,33,35)(H,34,37)/t19?,20?,21?,22?,26?,30-/m1/s1