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

Systemtic Name: 1-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[(2R)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]cyclohexanecarboxylic acid Formula: C30H39N3O5 MolecularWeight: 521.64776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39N3O5/c1-29(16-22-17-31-24-8-4-3-7-23(22)24,26(34)32-30(27(35)36)9-5-2-6-10-30)33-28(37)38-25-20-12-18-11-19(14-20)15-21(25)13-18/h3-4,7-8,17-21,25,31H,2,5-6,9-16H2,1H3,(H,32,34)(H,33,37)(H,35,36)/t18?,19?,20?,21?,25?,29-/m1/s1