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

Systemtic Name: 2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)-ethyl-amino]-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoate Openeye Name: 2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)-ethyl-amino]-3-benzoylsulfanyl-propanoyl]amino]acetate CAS Name: 2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)-ethylamino]-3-(benzoylthio)-1-oxopropyl]amino]acetate IUPAC Name: 2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)-ethylamino]-3-benzoylsulfanylpropanoyl]amino]acetate Traditional Name: 2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)-ethyl-amino]-3-(benzoylthio)propanoyl]amino]acetate Formula: C19H24N3O7S- MolecularWeight: 438.47476

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(CSC(=O)C1=CC=CC=C1)C(=O)NCC(=O)[O-])C(=O)C(CCC(=O)O)N

Isomeric SMILES

CCN(C(CSC(=O)C1=CC=CC=C1)C(=O)NCC(=O)[O-])C(=O)C(CCC(=O)O)N

InChI

InChI=1S/C19H25N3O7S/c1-2-22(18(28)13(20)8-9-15(23)24)14(17(27)21-10-16(25)26)11-30-19(29)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,20H2,1H3,(H,21,27)(H,23,24)(H,25,26)/p-1