3-(4-oxidanylidenepentanoyloxy)-2-[2-[2-(2-sulfanylethanoylamino)ethanoylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-oxidanylidenepentanoyloxy)-2-[2-[2-(2-sulfanylethanoylamino)ethanoylamino]ethanoylamino]propanoic acid Openeye Name: 3-(4-oxopentanoyloxy)-2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]propanoic acid CAS Name: 3-(1,4-dioxopentoxy)-2-[[2-[[2-[(2-mercapto-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(4-oxopentanoyloxy)-2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]propanoic acid Traditional Name: 3-(4-ketopentanoyloxy)-2-[[2-[[2-[(2-mercaptoacetyl)amino]acetyl]amino]acetyl]amino]propionic acid Formula: C14H21N3O8S MolecularWeight: 391.39684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC(C(=O)O)NC(=O)CNC(=O)CNC(=O)CS

Isomeric SMILES

CC(=O)CCC(=O)OCC(C(=O)O)NC(=O)CNC(=O)CNC(=O)CS

InChI

InChI=1S/C14H21N3O8S/c1-8(18)2-3-13(22)25-6-9(14(23)24)17-11(20)5-15-10(19)4-16-12(21)7-26/h9,26H,2-7H2,1H3,(H,15,19)(H,16,21)(H,17,20)(H,23,24)