ethyl 5-[[(3S)-3-(2,4-dimethylpentan-3-yloxycarbonylamino)-2-oxidanylidene-heptanoyl]amino]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(3S)-3-(2,4-dimethylpentan-3-yloxycarbonylamino)-2-oxidanylidene-heptanoyl]amino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(3S)-3-[(1-isopropyl-2-methyl-propoxy)carbonylamino]-2-oxo-heptanoyl]amino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[(3S)-3-[[2,4-dimethylpentan-3-yloxy(oxo)methyl]amino]-1,2-dioxoheptyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(3S)-3-(2,4-dimethylpentan-3-yloxycarbonylamino)-2-oxoheptanoyl]amino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[(3S)-3-[(1-isopropyl-2-methyl-propoxy)carbonylamino]-2-keto-heptanoyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C21H34N4O6 MolecularWeight: 438.51786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(=O)NC1=C(C=NN1)C(=O)OCC)NC(=O)OC(C(C)C)C(C)C

Isomeric SMILES

CCCC[C@@H](C(=O)C(=O)NC1=C(C=NN1)C(=O)OCC)NC(=O)OC(C(C)C)C(C)C

InChI

InChI=1S/C21H34N4O6/c1-7-9-10-15(23-21(29)31-17(12(3)4)13(5)6)16(26)19(27)24-18-14(11-22-25-18)20(28)30-8-2/h11-13,15,17H,7-10H2,1-6H3,(H,23,29)(H2,22,24,25,27)/t15-/m0/s1