tert-butyl 4-[[3,3-dimethyl-1-oxidanylidene-1-(pyridin-4-ylamino)butan-2-yl]amino]-4-oxidanylidene-3-thiophen-3-yl-butanoate

Systemtic Name: tert-butyl 4-[[3,3-dimethyl-1-oxidanylidene-1-(pyridin-4-ylamino)butan-2-yl]amino]-4-oxidanylidene-3-thiophen-3-yl-butanoate Openeye Name: tert-butyl 4-[[2,2-dimethyl-1-(4-pyridylcarbamoyl)propyl]amino]-4-oxo-3-(3-thienyl)butanoate CAS Name: 4-[[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]amino]-4-oxo-3-(3-thiophenyl)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]amino]-4-oxo-3-thiophen-3-ylbutanoate Traditional Name: 4-[[2,2-dimethyl-1-(4-pyridylcarbamoyl)propyl]amino]-4-keto-3-(3-thienyl)butyric acid tert-butyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC1=CC=NC=C1)NC(=O)C(CC(=O)OC(C)(C)C)C2=CSC=C2

Isomeric SMILES

CC(C)(C)C(C(=O)NC1=CC=NC=C1)NC(=O)C(CC(=O)OC(C)(C)C)C2=CSC=C2

InChI

InChI=1S/C23H31N3O4S/c1-22(2,3)19(21(29)25-16-7-10-24-11-8-16)26-20(28)17(15-9-12-31-14-15)13-18(27)30-23(4,5)6/h7-12,14,17,19H,13H2,1-6H3,(H,26,28)(H,24,25,29)