(2S)-2-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(4-benzhydrylpiperazin-4-ium-1-carbonyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(4-benzhydrylpiperazin-4-ium-1-carbonyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(4-benzhydrylpiperazin-4-ium-1-carbonyl)amino]-4-methyl-valerate Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-18(2)17-21(23(28)29)25-24(30)27-15-13-26(14-16-27)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-22H,13-17H2,1-2H3,(H,25,30)(H,28,29)/t21-/m0/s1