(2S)-2-[(4-dimethylaminophenyl)methylamino]-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid

Systemtic Name: (2S)-2-[(4-dimethylaminophenyl)methylamino]-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid Openeye Name: (2S)-2-[(4-dimethylaminophenyl)methylamino]-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid CAS Name: (2S)-2-[(4-dimethylaminophenyl)methylamino]-3-[4-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]phenyl]propanoic acid IUPAC Name: (2S)-2-[(4-dimethylaminophenyl)methylamino]-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid Traditional Name: (2S)-2-[[4-(dimethylamino)benzyl]amino]-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propionic acid Formula: C33H44N4O3 MolecularWeight: 544.72746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)C[C@@H](C(=O)O)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C33H44N4O3/c1-5-6-7-8-9-21-34-33(40)37(4)30-12-10-11-28(23-30)27-17-13-25(14-18-27)22-31(32(38)39)35-24-26-15-19-29(20-16-26)36(2)3/h10-20,23,31,35H,5-9,21-22,24H2,1-4H3,(H,34,40)(H,38,39)/t31-/m0/s1