2-azanyl-3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl]thio]propionic acid Formula: C12H20N2O3S MolecularWeight: 272.3638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CSCC(C(=O)O)N

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C12H20N2O3S/c1-4-12(5-2,6-3)14-10(15)8-18-7-9(13)11(16)17/h1,9H,5-8,13H2,2-3H3,(H,14,15)(H,16,17)