4-oxidanylidene-2-phenyl-3-propoxy-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-2-(thiophen-2-ylsulfonylamino)butanoic acid

Systemtic Name: 4-oxidanylidene-2-phenyl-3-propoxy-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-2-(thiophen-2-ylsulfonylamino)butanoic acid Openeye Name: 4-oxo-2-phenyl-3-propoxy-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-2-(2-thienylsulfonylamino)butanoic acid CAS Name: 4-oxo-2-phenyl-3-propoxy-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-2-(thiophen-2-ylsulfonylamino)butanoic acid IUPAC Name: 4-oxo-2-phenyl-3-propoxy-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-2-(thiophen-2-ylsulfonylamino)butanoic acid Traditional Name: 4-keto-2-phenyl-3-propoxy-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-2-(2-thienylsulfonylamino)butyric acid Formula: C21H26N4O6S2 MolecularWeight: 494.58434

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(C(=O)NC1=NCCCN1)C(C2=CC=CC=C2)(C(=O)O)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCOC(C(=O)NC1=NCCCN1)C(C2=CC=CC=C2)(C(=O)O)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N4O6S2/c1-2-13-31-17(18(26)24-20-22-11-7-12-23-20)21(19(27)28,15-8-4-3-5-9-15)25-33(29,30)16-10-6-14-32-16/h3-6,8-10,14,17,25H,2,7,11-13H2,1H3,(H,27,28)(H2,22,23,24,26)