2-(butanoylamino)-5-oxidanylidene-5-[[1-oxidanylidene-1-(2-oxidanylidenepropylamino)-3-sulfanyl-propan-2-yl]amino]pentanoic acid

Systemtic Name: 2-(butanoylamino)-5-oxidanylidene-5-[[1-oxidanylidene-1-(2-oxidanylidenepropylamino)-3-sulfanyl-propan-2-yl]amino]pentanoic acid Openeye Name: 5-[[2-(acetonylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-(butanoylamino)-5-oxo-pentanoic acid CAS Name: 5-[[3-mercapto-1-oxo-1-(2-oxopropylamino)propan-2-yl]amino]-5-oxo-2-(1-oxobutylamino)pentanoic acid IUPAC Name: 2-(butanoylamino)-5-oxo-5-[[1-oxo-1-(2-oxopropylamino)-3-sulfanylpropan-2-yl]amino]pentanoic acid Traditional Name: 5-[[2-(acetonylamino)-2-keto-1-(mercaptomethyl)ethyl]amino]-2-butyramido-5-keto-valeric acid Formula: C15H25N3O6S MolecularWeight: 375.4405

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CCC(=O)NC(CS)C(=O)NCC(=O)C)C(=O)O

Isomeric SMILES

CCCC(=O)NC(CCC(=O)NC(CS)C(=O)NCC(=O)C)C(=O)O

InChI

InChI=1S/C15H25N3O6S/c1-3-4-12(20)17-10(15(23)24)5-6-13(21)18-11(8-25)14(22)16-7-9(2)19/h10-11,25H,3-8H2,1-2H3,(H,16,22)(H,17,20)(H,18,21)(H,23,24)