2-azanyl-3-[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(1-methylhexylamino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(heptan-2-ylamino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(heptan-2-ylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-keto-2-(1-methylhexylamino)ethyl]thio]propionic acid Formula: C12H24N2O3S MolecularWeight: 276.39556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSCC(C(=O)O)N

Isomeric SMILES

CCCCCC(C)NC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C12H24N2O3S/c1-3-4-5-6-9(2)14-11(15)8-18-7-10(13)12(16)17/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17)