(4S)-5-[2-[4-(1-adamantyl)quinolin-2-yl]carbonylhydrazinyl]-4-azanyl-5-oxidanylidene-pentanamide dihydrobromide

Systemtic Name: (4S)-5-[2-[4-(1-adamantyl)quinolin-2-yl]carbonylhydrazinyl]-4-azanyl-5-oxidanylidene-pentanamide dihydrobromide Openeye Name: (4S)-5-[2-[4-(1-adamantyl)quinoline-2-carbonyl]hydrazino]-4-amino-5-oxo-pentanamide dihydrobromide CAS Name: (4S)-5-[[[4-(1-adamantyl)-2-quinolinyl]-oxomethyl]hydrazo]-4-amino-5-oxopentanamide dihydrobromide IUPAC Name: (4S)-5-[2-[4-(1-adamantyl)quinoline-2-carbonyl]hydrazinyl]-4-amino-5-oxopentanamide dihydrobromide Traditional Name: (4S)-5-[N'-[4-(1-adamantyl)quinoline-2-carbonyl]hydrazino]-4-amino-5-keto-valeramide dihydrobromide Formula: C25H33Br2N5O3 MolecularWeight: 611.36922

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NNC(=O)C(CCC(=O)N)N.Br.Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NNC(=O)[C@H](CCC(=O)N)N.Br.Br

InChI

InChI=1S/C25H31N5O3.2BrH/c26-19(5-6-22(27)31)23(32)29-30-24(33)21-10-18(17-3-1-2-4-20(17)28-21)25-11-14-7-15(12-25)9-16(8-14)13-25;;/h1-4,10,14-16,19H,5-9,11-13,26H2,(H2,27,31)(H,29,32)(H,30,33);2*1H/t14?,15?,16?,19-,25?;;/m0../s1