methyl (2S)-2-[[4-bromanyl-3-[(2-chlorophenyl)carbonylamino]-1H-pyrazol-5-yl]carbonylamino]hexanoate

Systemtic Name: methyl (2S)-2-[[4-bromanyl-3-[(2-chlorophenyl)carbonylamino]-1H-pyrazol-5-yl]carbonylamino]hexanoate Openeye Name: methyl (2S)-2-[[4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]hexanoate CAS Name: (2S)-2-[[[4-bromo-3-[[(2-chlorophenyl)-oxomethyl]amino]-1H-pyrazol-5-yl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]hexanoate Traditional Name: (2S)-2-[[4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]hexanoic acid methyl ester Formula: C18H20BrClN4O4 MolecularWeight: 471.7328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)C1=C(C(=NN1)NC(=O)C2=CC=CC=C2Cl)Br

Isomeric SMILES

CCCC[C@@H](C(=O)OC)NC(=O)C1=C(C(=NN1)NC(=O)C2=CC=CC=C2Cl)Br

InChI

InChI=1S/C18H20BrClN4O4/c1-3-4-9-12(18(27)28-2)21-17(26)14-13(19)15(24-23-14)22-16(25)10-7-5-6-8-11(10)20/h5-8,12H,3-4,9H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t12-/m0/s1