1-adamantyl 2-[[1-[(2-bromophenyl)methyl-methyl-amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]-4-oxidanyl-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]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: 1-adamantyl 2-[[2-[(2-bromophenyl)methyl-methyl-amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: 2-[[[1-[(2-bromophenyl)methyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-oxomethyl]-4-hydroxy-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]-4-hydroxypyrrolidine-1-carboxylate Traditional Name: 2-[[2-[(2-bromobenzyl)-methyl-amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-4-hydroxy-pyrrolidine-1-carboxylic acid 1-adamantyl ester Formula: C35H41BrN4O5 MolecularWeight: 677.62784

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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)C4CC(CN4C(=O)OC56CC7CC(C5)CC(C7)C6)O

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4CC(CN4C(=O)OC56CC7CC(C5)CC(C7)C6)O

InChI

InChI=1S/C35H41BrN4O5/c1-39(19-24-6-2-4-8-28(24)36)33(43)30(13-25-18-37-29-9-5-3-7-27(25)29)38-32(42)31-14-26(41)20-40(31)34(44)45-35-15-21-10-22(16-35)12-23(11-21)17-35/h2-9,18,21-23,26,30-31,37,41H,10-17,19-20H2,1H3,(H,38,42)