4-oxidanylidene-3-[[6-(quinoxalin-6-ylcarbonylamino)-2-thiophen-2-yl-hexanoyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[[6-(quinoxalin-6-ylcarbonylamino)-2-thiophen-2-yl-hexanoyl]amino]butanoic acid Openeye Name: 4-oxo-3-[[6-(quinoxaline-6-carbonylamino)-2-(2-thienyl)hexanoyl]amino]butanoic acid CAS Name: 4-oxo-3-[[1-oxo-6-[[oxo(6-quinoxalinyl)methyl]amino]-2-thiophen-2-ylhexyl]amino]butanoic acid IUPAC Name: 4-oxo-3-[[6-(quinoxaline-6-carbonylamino)-2-thiophen-2-ylhexanoyl]amino]butanoic acid Traditional Name: 4-keto-3-[[6-(quinoxaline-6-carbonylamino)-2-(2-thienyl)hexanoyl]amino]butyric acid Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CCCCNC(=O)C2=CC3=NC=CN=C3C=C2)C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1=CSC(=C1)C(CCCCNC(=O)C2=CC3=NC=CN=C3C=C2)C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C23H24N4O5S/c28-14-16(13-21(29)30)27-23(32)17(20-5-3-11-33-20)4-1-2-8-26-22(31)15-6-7-18-19(12-15)25-10-9-24-18/h3,5-7,9-12,14,16-17H,1-2,4,8,13H2,(H,26,31)(H,27,32)(H,29,30)