2-[[2-[[2-(hexylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoate

Systemtic Name: 2-[[2-[[2-(hexylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoate Openeye Name: 2-[[2-[[2-(hexylamino)-5-hydroxy-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]acetate CAS Name: 2-[[2-[[2-(hexylamino)-5-hydroxy-1,5-dioxopentyl]amino]-3-mercapto-1-oxopropyl]amino]acetate IUPAC Name: 2-[[2-[[2-(hexylamino)-5-hydroxy-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]acetate Traditional Name: 2-[[2-[[2-(hexylamino)-5-hydroxy-5-keto-pentanoyl]amino]-3-mercapto-propanoyl]amino]acetate Formula: C16H28N3O6S- MolecularWeight: 390.47502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(CCC(=O)O)C(=O)NC(CS)C(=O)NCC(=O)[O-]

Isomeric SMILES

CCCCCCNC(CCC(=O)O)C(=O)NC(CS)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-17-11(6-7-13(20)21)16(25)19-12(10-26)15(24)18-9-14(22)23/h11-12,17,26H,2-10H2,1H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)/p-1