3-[[(2S)-2-(cyclohexylcarbonylamino)-3-methyl-butanoyl]amino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[(2S)-2-(cyclohexylcarbonylamino)-3-methyl-butanoyl]amino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[(2S)-2-(cyclohexanecarbonylamino)-3-methyl-butanoyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[(2S)-2-[[cyclohexyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[(2S)-2-(cyclohexanecarbonylamino)-3-methyl-butanoyl]amino]propyl]-methyl-ammonium Formula: C23H38N3O2+ MolecularWeight: 388.56672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC[NH+](C)CC1=CC=CC=C1)NC(=O)C2CCCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC[NH+](C)CC1=CC=CC=C1)NC(=O)C2CCCCC2

InChI

InChI=1S/C23H37N3O2/c1-18(2)21(25-22(27)20-13-8-5-9-14-20)23(28)24-15-10-16-26(3)17-19-11-6-4-7-12-19/h4,6-7,11-12,18,20-21H,5,8-10,13-17H2,1-3H3,(H,24,28)(H,25,27)/p+1/t21-/m0/s1