methyl (2S)-2-acetamido-6-[(6-methylsulfanyl-1,2,4,5-tetrazin-3-yl)amino]hexanoate

Systemtic Name: methyl (2S)-2-acetamido-6-[(6-methylsulfanyl-1,2,4,5-tetrazin-3-yl)amino]hexanoate Openeye Name: methyl (2S)-2-acetamido-6-[(6-methylsulfanyl-1,2,4,5-tetrazin-3-yl)amino]hexanoate CAS Name: (2S)-2-acetamido-6-[[6-(methylthio)-1,2,4,5-tetrazin-3-yl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-6-[(6-methylsulfanyl-1,2,4,5-tetrazin-3-yl)amino]hexanoate Traditional Name: (2S)-2-acetamido-6-[[6-(methylthio)-1,2,4,5-tetrazin-3-yl]amino]hexanoic acid methyl ester Formula: C12H20N6O3S MolecularWeight: 328.3906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCNC1=NN=C(N=N1)SC)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CCCCNC1=NN=C(N=N1)SC)C(=O)OC

InChI

InChI=1S/C12H20N6O3S/c1-8(19)14-9(10(20)21-2)6-4-5-7-13-11-15-17-12(22-3)18-16-11/h9H,4-7H2,1-3H3,(H,14,19)(H,13,15,16)/t9-/m0/s1