(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-naphthalen-1-yl-pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[5-(2,6-dimethoxyphenyl)-1-naphthalen-1-yl-pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(1-naphthyl)pyrazole-3-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[5-(2,6-dimethoxyphenyl)-1-(1-naphthalenyl)-3-pyrazolyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(1-naphthyl)pyrazole-3-carbonyl]amino]-4-methyl-valeric acid Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=NN(C(=C1)C2=C(C=CC=C2OC)OC)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=NN(C(=C1)C2=C(C=CC=C2OC)OC)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H29N3O5/c1-17(2)15-21(28(33)34)29-27(32)20-16-23(26-24(35-3)13-8-14-25(26)36-4)31(30-20)22-12-7-10-18-9-5-6-11-19(18)22/h5-14,16-17,21H,15H2,1-4H3,(H,29,32)(H,33,34)/t21-/m0/s1