methyl (2S)-2-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C21H29N3O4S/c1-14-18(9-10-20(25)22-19(11-12-29-5)21(26)28-4)15(2)24(23-14)16-7-6-8-17(13-16)27-3/h6-8,13,19H,9-12H2,1-5H3,(H,22,25)/t19-/m0/s1