methyl 2-[[3-methyl-2-(quinoxalin-2-ylcarbonylamino)butanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[3-methyl-2-(quinoxalin-2-ylcarbonylamino)butanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[3-methyl-2-(quinoxaline-2-carbonylamino)butanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[3-methyl-1-oxo-2-[[oxo(2-quinoxalinyl)methyl]amino]butyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-2-(quinoxaline-2-carbonylamino)butanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[3-methyl-2-(quinoxaline-2-carbonylamino)butanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCSC)C(=O)OC)NC(=O)C1=NC2=CC=CC=C2N=C1

Isomeric SMILES

CC(C)C(C(=O)NC(CCSC)C(=O)OC)NC(=O)C1=NC2=CC=CC=C2N=C1

InChI

InChI=1S/C20H26N4O4S/c1-12(2)17(19(26)23-15(9-10-29-4)20(27)28-3)24-18(25)16-11-21-13-7-5-6-8-14(13)22-16/h5-8,11-12,15,17H,9-10H2,1-4H3,(H,23,26)(H,24,25)