2-[[(2S)-2-[(4-bromophenyl)carbonylamino]propanoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(2S)-2-[(4-bromophenyl)carbonylamino]propanoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(2S)-2-[(4-bromobenzoyl)amino]propanoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(2S)-2-[(4-bromobenzoyl)amino]propanoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(2S)-2-[(4-bromobenzoyl)amino]propanoyl]amino]ethyl-diisopropyl-ammonium Formula: C18H29BrN3O2+ MolecularWeight: 399.34576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C(C)NC(=O)C1=CC=C(C=C1)Br)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28BrN3O2/c1-12(2)22(13(3)4)11-10-20-17(23)14(5)21-18(24)15-6-8-16(19)9-7-15/h6-9,12-14H,10-11H2,1-5H3,(H,20,23)(H,21,24)/p+1/t14-/m0/s1