methyl 5-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate

Systemtic Name: methyl 5-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate Openeye Name: methyl 5-[[(2S)-2-amino-3-methyl-butanoyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate CAS Name: 5-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-1-[(4-methoxyphenyl)methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[[(2S)-2-amino-3-methylbutanoyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate Traditional Name: 5-[[(2S)-2-amino-3-methyl-butanoyl]amino]-1-p-anisyl-pyrazole-3-carboxylic acid methyl ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=NN1CC2=CC=C(C=C2)OC)C(=O)OC)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC(=NN1CC2=CC=C(C=C2)OC)C(=O)OC)N

InChI

InChI=1S/C18H24N4O4/c1-11(2)16(19)17(23)20-15-9-14(18(24)26-4)21-22(15)10-12-5-7-13(25-3)8-6-12/h5-9,11,16H,10,19H2,1-4H3,(H,20,23)/t16-/m0/s1