4-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl]amino]butyric acid Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CNCCCC(=O)O

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CNCCCC(=O)O

InChI

InChI=1S/C13H22N2O3/c1-4-13(5-2,6-3)15-11(16)10-14-9-7-8-12(17)18/h1,14H,5-10H2,2-3H3,(H,15,16)(H,17,18)