(2S)-2-(heptanoylamino)-3-methyl-3-nitrososulfanyl-butanoic acid

Systemtic Name: (2S)-2-(heptanoylamino)-3-methyl-3-nitrososulfanyl-butanoic acid Openeye Name: (2S)-2-(heptanoylamino)-3-methyl-3-nitrososulfanyl-butanoic acid CAS Name: (2S)-3-methyl-3-(nitrosothio)-2-(1-oxoheptylamino)butanoic acid IUPAC Name: (2S)-2-(heptanoylamino)-3-methyl-3-nitrososulfanylbutanoic acid Traditional Name: (2S)-2-(enanthylamino)-3-methyl-3-(nitrosothio)butyric acid Formula: C12H22N2O4S MolecularWeight: 290.37908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(C(=O)O)C(C)(C)SN=O

Isomeric SMILES

CCCCCCC(=O)N[C@@H](C(=O)O)C(C)(C)SN=O

InChI

InChI=1S/C12H22N2O4S/c1-4-5-6-7-8-9(15)13-10(11(16)17)12(2,3)19-14-18/h10H,4-8H2,1-3H3,(H,13,15)(H,16,17)/t10-/m0/s1