1-adamantyl 2-[[1-[(2-bromophenyl)methyl-methyl-amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: 1-adamantyl 2-[[1-[(2-bromophenyl)methyl-methyl-amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: 1-adamantyl 2-[[2-[(2-bromophenyl)methyl-methyl-amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[1-[(2-bromophenyl)methyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-[[1-[(2-bromophenyl)methyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[2-[(2-bromobenzyl)-methyl-amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]pyrrolidine-1-carboxylic acid 1-adamantyl ester Formula: C35H41BrN4O4 MolecularWeight: 661.62844

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4CCCN4C(=O)OC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4CCCN4C(=O)OC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C35H41BrN4O4/c1-39(21-25-7-2-4-9-28(25)36)33(42)30(16-26-20-37-29-10-5-3-8-27(26)29)38-32(41)31-11-6-12-40(31)34(43)44-35-17-22-13-23(18-35)15-24(14-22)19-35/h2-5,7-10,20,22-24,30-31,37H,6,11-19,21H2,1H3,(H,38,41)