2-[(3-acetamido-4-carboxy-phenyl)amino]ethyl-[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-phenyl]-ethanoyl-methyl-azanium

Systemtic Name: 2-[(3-acetamido-4-carboxy-phenyl)amino]ethyl-[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-phenyl]-ethanoyl-methyl-azanium Openeye Name: 2-(3-acetamido-4-carboxy-anilino)ethyl-acetyl-[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-phenyl]-methyl-ammonium CAS Name: 2-(3-acetamido-4-carboxyanilino)ethyl-acetyl-[4-[[(2-bromoanilino)-oxomethyl]amino]-3-methoxyphenyl]-methylammonium IUPAC Name: 2-(3-acetamido-4-carboxyanilino)ethyl-acetyl-[4-[(2-bromophenyl)carbamoylamino]-3-methoxyphenyl]-methylazanium Traditional Name: 2-(3-acetamido-4-carboxy-anilino)ethyl-acetyl-[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-phenyl]-methyl-ammonium Formula: C28H31BrN5O6+ MolecularWeight: 613.47964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NCC[N+](C)(C2=CC(=C(C=C2)NC(=O)NC3=CC=CC=C3Br)OC)C(=O)C)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NCC[N+](C)(C2=CC(=C(C=C2)NC(=O)NC3=CC=CC=C3Br)OC)C(=O)C)C(=O)O

InChI

InChI=1S/C28H30BrN5O6/c1-17(35)31-25-15-19(9-11-21(25)27(37)38)30-13-14-34(3,18(2)36)20-10-12-24(26(16-20)40-4)33-28(39)32-23-8-6-5-7-22(23)29/h5-12,15-16,30H,13-14H2,1-4H3,(H3-,31,32,33,35,37,38,39)/p+1