4-oxidanylidene-3-[[6-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]-2-thiophen-2-yl-hexanoyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[[6-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]-2-thiophen-2-yl-hexanoyl]amino]butanoic acid Openeye Name: 4-oxo-3-[[6-[[5-(2-pyridyl)-2-thienyl]sulfonylamino]-2-(2-thienyl)hexanoyl]amino]butanoic acid CAS Name: 4-oxo-3-[[1-oxo-6-[[5-(2-pyridinyl)-2-thiophenyl]sulfonylamino]-2-thiophen-2-ylhexyl]amino]butanoic acid IUPAC Name: 4-oxo-3-[[6-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]-2-thiophen-2-ylhexanoyl]amino]butanoic acid Traditional Name: 4-keto-3-[[6-[[5-(2-pyridyl)-2-thienyl]sulfonylamino]-2-(2-thienyl)hexanoyl]amino]butyric acid Formula: C23H25N3O6S3 MolecularWeight: 535.6561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=C(S2)S(=O)(=O)NCCCCC(C3=CC=CS3)C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=C(S2)S(=O)(=O)NCCCCC(C3=CC=CS3)C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C23H25N3O6S3/c27-15-16(14-21(28)29)26-23(30)17(19-8-5-13-33-19)6-1-4-12-25-35(31,32)22-10-9-20(34-22)18-7-2-3-11-24-18/h2-3,5,7-11,13,15-17,25H,1,4,6,12,14H2,(H,26,30)(H,28,29)