(2S)-2-[(4-dodecylphenyl)-ethanoyl-amino]-4-oxidanylidene-4-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]butanoic acid

Systemtic Name: (2S)-2-[(4-dodecylphenyl)-ethanoyl-amino]-4-oxidanylidene-4-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]butanoic acid Openeye Name: (2S)-2-(N-acetyl-4-dodecyl-anilino)-4-oxo-4-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butanoic acid CAS Name: (2S)-2-(N-acetyl-4-dodecylanilino)-4-oxo-4-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butanoic acid IUPAC Name: (2S)-2-(N-acetyl-4-dodecylanilino)-4-oxo-4-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butanoic acid Traditional Name: (2S)-2-(N-acetyl-4-lauryl-anilino)-4-keto-4-[(5-keto-1-phenyl-2-pyrazolin-3-yl)amino]butyric acid Formula: C33H44N4O5 MolecularWeight: 576.72626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)N(C(CC(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3)C(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)N([C@@H](CC(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3)C(=O)O)C(=O)C

InChI

InChI=1S/C33H44N4O5/c1-3-4-5-6-7-8-9-10-11-13-16-26-19-21-27(22-20-26)36(25(2)38)29(33(41)42)23-31(39)34-30-24-32(40)37(35-30)28-17-14-12-15-18-28/h12,14-15,17-22,29H,3-11,13,16,23-24H2,1-2H3,(H,41,42)(H,34,35,39)/t29-/m0/s1