2-[[2-[(2-azaniumyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-[[2-[(2-azaniumyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-3-oxidanylidene-propyl]disulfanyl]propanoyl]amino]ethanoate

Systemtic Name: 2-[[2-[(2-azaniumyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-[[2-[(2-azaniumyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-3-oxidanylidene-propyl]disulfanyl]propanoyl]amino]ethanoate Openeye Name: 2-[[2-[(2-azaniumyl-5-hydroxy-5-oxo-pentanoyl)amino]-3-[[2-[(2-azaniumyl-5-hydroxy-5-oxo-pentanoyl)amino]-3-[(2-oxido-2-oxo-ethyl)amino]-3-oxo-propyl]disulfanyl]propanoyl]amino]acetate CAS Name: 2-[[2-[(2-ammonio-5-hydroxy-1,5-dioxopentyl)amino]-3-[[2-[(2-ammonio-5-hydroxy-1,5-dioxopentyl)amino]-3-[(2-oxido-2-oxoethyl)amino]-3-oxopropyl]disulfanyl]-1-oxopropyl]amino]acetate IUPAC Name: 2-[[2-[(2-azaniumyl-5-hydroxy-5-oxopentanoyl)amino]-3-[[2-[(2-azaniumyl-5-hydroxy-5-oxopentanoyl)amino]-3-[(2-oxido-2-oxoethyl)amino]-3-oxopropyl]disulfanyl]propanoyl]amino]acetate Traditional Name: 2-[[2-[(2-ammonio-5-hydroxy-5-keto-pentanoyl)amino]-3-[[2-[(2-ammonio-5-hydroxy-5-keto-pentanoyl)amino]-3-keto-3-[(2-keto-2-oxido-ethyl)amino]propyl]disulfanyl]propanoyl]amino]acetate Formula: C20H32N6O12S2 MolecularWeight: 612.63108

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C(C(=O)NC(CSSCC(C(=O)NCC(=O)[O-])NC(=O)C(CCC(=O)O)[NH3+])C(=O)NCC(=O)[O-])[NH3+]

Isomeric SMILES

C(CC(=O)O)C(C(=O)NC(CSSCC(C(=O)NCC(=O)[O-])NC(=O)C(CCC(=O)O)[NH3+])C(=O)NCC(=O)[O-])[NH3+]

InChI

InChI=1S/C20H32N6O12S2/c21-9(1-3-13(27)28)17(35)25-11(19(37)23-5-15(31)32)7-39-40-8-12(20(38)24-6-16(33)34)26-18(36)10(22)2-4-14(29)30/h9-12H,1-8,21-22H2,(H,23,37)(H,24,38)(H,25,35)(H,26,36)(H,27,28)(H,29,30)(H,31,32)(H,33,34)