(2S)-2-[[4-[(4-dimethylaminophenyl)diazenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[4-[(4-dimethylaminophenyl)diazenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[4-(4-dimethylaminophenyl)azobenzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[4-(4-dimethylaminophenyl)azophenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[4-[(4-dimethylaminophenyl)diazenyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[4-(4-dimethylaminophenyl)azobenzoyl]amino]-4-(methylthio)butyric acid Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C20H24N4O3S/c1-24(2)17-10-8-16(9-11-17)23-22-15-6-4-14(5-7-15)19(25)21-18(20(26)27)12-13-28-3/h4-11,18H,12-13H2,1-3H3,(H,21,25)(H,26,27)/t18-/m0/s1