(2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-4-(methylthio)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-4-(methylthio)butanoyl]amino]propionic acid Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CCSC)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CCSC)N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H18N4O4S/c1-9(15(22)23)16-13(20)12(7-8-24-2)19-14(21)10-5-3-4-6-11(10)17-18-19/h3-6,9,12H,7-8H2,1-2H3,(H,16,20)(H,22,23)/t9-,12-/m0/s1