(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C14H17N5O4S MolecularWeight: 351.38088

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)N

InChI

InChI=1S/C14H17N5O4S/c1-24-7-6-11(16-14(15)22)13(21)23-8-19-12(20)9-4-2-3-5-10(9)17-18-19/h2-5,11H,6-8H2,1H3,(H3,15,16,22)/t11-/m1/s1