[(2S)-1-[(3,5-diacetamidophenyl)carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(3,5-diacetamidophenyl)carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(3,5-diacetamidobenzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[(3,5-diacetamidophenyl)-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(3,5-diacetamidobenzoyl)amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(3,5-diacetamidobenzoyl)amino]ethyl]-dimethyl-ammonium Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)NC[C@H](CC2=CC=CC=C2)[NH+](C)C)NC(=O)C

InChI

InChI=1S/C22H28N4O3/c1-15(27)24-19-11-18(12-20(13-19)25-16(2)28)22(29)23-14-21(26(3)4)10-17-8-6-5-7-9-17/h5-9,11-13,21H,10,14H2,1-4H3,(H,23,29)(H,24,27)(H,25,28)/p+1/t21-/m0/s1