methyl (2S)-2-[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[[[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]amino]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]carbamoylamino]-3-methyl-butyric acid methyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C21H30N4O3/c1-13(2)18(19(26)28-7)23-20(27)22-17-12-16(21(4,5)6)24-25(17)15-10-8-14(3)9-11-15/h8-13,18H,1-7H3,(H2,22,23,27)/t18-/m0/s1