4-methylsulfanyl-2-(quinoxalin-6-ylcarbamoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(quinoxalin-6-ylcarbamoylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(quinoxalin-6-ylcarbamoylamino)butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(6-quinoxalinylamino)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(quinoxalin-6-ylcarbamoylamino)butanoic acid Traditional Name: 4-(methylthio)-2-(quinoxalin-6-ylcarbamoylamino)butyric acid Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NC1=CC2=NC=CN=C2C=C1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NC1=CC2=NC=CN=C2C=C1

InChI

InChI=1S/C14H16N4O3S/c1-22-7-4-11(13(19)20)18-14(21)17-9-2-3-10-12(8-9)16-6-5-15-10/h2-3,5-6,8,11H,4,7H2,1H3,(H,19,20)(H2,17,18,21)