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

Systemtic Name: 2-(butanoylamino)-5-[[3-ethanoylsulfanyl-1-oxidanylidene-1-(2-oxidanylidenepropylamino)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-(acetonylamino)-1-(acetylsulfanylmethyl)-2-oxo-ethyl]amino]-2-(butanoylamino)-5-oxo-pentanoic acid CAS Name: 5-[[3-(acetylthio)-1-oxo-1-(2-oxopropylamino)propan-2-yl]amino]-5-oxo-2-(1-oxobutylamino)pentanoic acid IUPAC Name: 5-[[3-acetylsulfanyl-1-oxo-1-(2-oxopropylamino)propan-2-yl]amino]-2-(butanoylamino)-5-oxopentanoic acid Traditional Name: 5-[[2-(acetonylamino)-1-[(acetylthio)methyl]-2-keto-ethyl]amino]-2-butyramido-5-keto-valeric acid Formula: C17H27N3O7S MolecularWeight: 417.47718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O7S/c1-4-5-14(23)19-12(17(26)27)6-7-15(24)20-13(9-28-11(3)22)16(25)18-8-10(2)21/h12-13H,4-9H2,1-3H3,(H,18,25)(H,19,23)(H,20,24)(H,26,27)