[(1S)-2-[[(2R)-2-benzamido-3-methyl-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[(2R)-2-benzamido-3-methyl-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[(2R)-2-benzamido-3-methyl-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2R)-2-benzamido-3-methyl-1-oxobutyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[(2R)-2-benzamido-3-methyl-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)NC[C@H](C1=CC=CC=C1)[NH+](C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H29N3O2/c1-16(2)20(24-21(26)18-13-9-6-10-14-18)22(27)23-15-19(25(3)4)17-11-7-5-8-12-17/h5-14,16,19-20H,15H2,1-4H3,(H,23,27)(H,24,26)/p+1/t19-,20-/m1/s1