dimethyl-[(1S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-[[3-(tert-butoxycarbonylamino)benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1S)-2-[[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[[3-(tert-butoxycarbonylamino)benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-22(2,3)28-21(27)24-18-13-9-12-17(14-18)20(26)23-15-19(25(4)5)16-10-7-6-8-11-16/h6-14,19H,15H2,1-5H3,(H,23,26)(H,24,27)/p+1/t19-/m1/s1