dimethyl-[(2S)-2-[3-[(2-methylphenyl)carbonylamino]propanoylamino]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[3-[(2-methylphenyl)carbonylamino]propanoylamino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[3-[(2-methylbenzoyl)amino]propanoylamino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[3-[[(2-methylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[3-[(2-methylbenzoyl)amino]propanoylamino]-2-phenylethyl]azanium Traditional Name: dimethyl-[(2S)-2-[3-(o-toluoylamino)propanoylamino]-2-phenyl-ethyl]ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)NC(C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2/c1-16-9-7-8-12-18(16)21(26)22-14-13-20(25)23-19(15-24(2)3)17-10-5-4-6-11-17/h4-12,19H,13-15H2,1-3H3,(H,22,26)(H,23,25)/p+1/t19-/m1/s1