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

Systemtic Name: 2-[(4S)-5-[2-[4-(1-adamantyl)quinolin-2-yl]carbonylhydrazinyl]-4-azanyl-5-oxidanylidene-pentyl]guanidine Openeye Name: 2-[(4S)-5-[2-[4-(1-adamantyl)quinoline-2-carbonyl]hydrazino]-4-amino-5-oxo-pentyl]guanidine CAS Name: 2-[(4S)-5-[[[4-(1-adamantyl)-2-quinolinyl]-oxomethyl]hydrazo]-4-amino-5-oxopentyl]guanidine IUPAC Name: 2-[(4S)-5-[2-[4-(1-adamantyl)quinoline-2-carbonyl]hydrazinyl]-4-amino-5-oxopentyl]guanidine Traditional Name: 2-[(4S)-5-[N'-[4-(1-adamantyl)quinoline-2-carbonyl]hydrazino]-4-amino-5-keto-pentyl]guanidine Formula: C26H35N7O2 MolecularWeight: 477.6018

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NNC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

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

InChI

InChI=1S/C26H35N7O2/c27-20(5-3-7-30-25(28)29)23(34)32-33-24(35)22-11-19(18-4-1-2-6-21(18)31-22)26-12-15-8-16(13-26)10-17(9-15)14-26/h1-2,4,6,11,15-17,20H,3,5,7-10,12-14,27H2,(H,32,34)(H,33,35)(H4,28,29,30)/t15?,16?,17?,20-,26?/m0/s1