2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)-ethyl-amino]-3-ethanoylsulfanyl-propanoyl]amino]ethanoate

Systemtic Name: 2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)-ethyl-amino]-3-ethanoylsulfanyl-propanoyl]amino]ethanoate Openeye Name: 2-[[3-acetylsulfanyl-2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)-ethyl-amino]propanoyl]amino]acetate CAS Name: 2-[[3-(acetylthio)-2-[(2-amino-5-hydroxy-1,5-dioxopentyl)-ethylamino]-1-oxopropyl]amino]acetate IUPAC Name: 2-[[3-acetylsulfanyl-2-[(2-amino-5-hydroxy-5-oxopentanoyl)-ethylamino]propanoyl]amino]acetate Traditional Name: 2-[[3-(acetylthio)-2-[(2-amino-5-hydroxy-5-keto-pentanoyl)-ethyl-amino]propanoyl]amino]acetate Formula: C14H22N3O7S- MolecularWeight: 376.40538

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(CSC(=O)C)C(=O)NCC(=O)[O-])C(=O)C(CCC(=O)O)N

Isomeric SMILES

CCN(C(CSC(=O)C)C(=O)NCC(=O)[O-])C(=O)C(CCC(=O)O)N

InChI

InChI=1S/C14H23N3O7S/c1-3-17(14(24)9(15)4-5-11(19)20)10(7-25-8(2)18)13(23)16-6-12(21)22/h9-10H,3-7,15H2,1-2H3,(H,16,23)(H,19,20)(H,21,22)/p-1