4-[[3,3-dimethyl-1-oxidanylidene-1-(pyridin-4-ylamino)butan-2-yl]amino]-4-oxidanylidene-3-thiophen-3-yl-butanoic acid

Systemtic Name: 4-[[3,3-dimethyl-1-oxidanylidene-1-(pyridin-4-ylamino)butan-2-yl]amino]-4-oxidanylidene-3-thiophen-3-yl-butanoic acid Openeye Name: 4-[[2,2-dimethyl-1-(4-pyridylcarbamoyl)propyl]amino]-4-oxo-3-(3-thienyl)butanoic acid CAS Name: 4-[[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]amino]-4-oxo-3-(3-thiophenyl)butanoic acid IUPAC Name: 4-[[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]amino]-4-oxo-3-thiophen-3-ylbutanoic acid Traditional Name: 4-[[2,2-dimethyl-1-(4-pyridylcarbamoyl)propyl]amino]-4-keto-3-(3-thienyl)butyric acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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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)O)C2=CSC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-19(2,3)16(18(26)21-13-4-7-20-8-5-13)22-17(25)14(10-15(23)24)12-6-9-27-11-12/h4-9,11,14,16H,10H2,1-3H3,(H,22,25)(H,23,24)(H,20,21,26)