4-[3-[2-(oxan-2-ylsulfanyl)ethanoylamino]-4-oxidanylidene-4-(pyridin-2-ylmethylamino)butoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-[2-(oxan-2-ylsulfanyl)ethanoylamino]-4-oxidanylidene-4-(pyridin-2-ylmethylamino)butoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-4-[4-oxo-4-(2-pyridylmethylamino)-3-[(2-tetrahydropyran-2-ylsulfanylacetyl)amino]butoxy]butanoic acid CAS Name: 4-[3-[[2-(2-oxanylthio)-1-oxoethyl]amino]-4-oxo-4-(2-pyridinylmethylamino)butoxy]-4-oxobutanoic acid IUPAC Name: 4-[3-[[2-(oxan-2-ylsulfanyl)acetyl]amino]-4-oxo-4-(pyridin-2-ylmethylamino)butoxy]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-keto-4-(2-pyridylmethylamino)-3-[[2-(tetrahydropyran-2-ylthio)acetyl]amino]butoxy]butyric acid Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)SCC(=O)NC(CCOC(=O)CCC(=O)O)C(=O)NCC2=CC=CC=N2

Isomeric SMILES

C1CCOC(C1)SCC(=O)NC(CCOC(=O)CCC(=O)O)C(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C21H29N3O7S/c25-17(14-32-20-6-2-4-11-31-20)24-16(9-12-30-19(28)8-7-18(26)27)21(29)23-13-15-5-1-3-10-22-15/h1,3,5,10,16,20H,2,4,6-9,11-14H2,(H,23,29)(H,24,25)(H,26,27)