3-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfonyl-2-[[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfonylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfonyl-2-[[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfonylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 3-[2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(carboxymethylamino)-3-oxo-propyl]sulfonyl-2-[[2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(carboxymethylamino)-3-oxo-propyl]sulfonylmethyl]-4-hydroxy-5-oxo-furan-2-carboxylic acid CAS Name: 3-[2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfonyl-2-[[2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfonylmethyl]-4-hydroxy-5-oxo-2-furancarboxylic acid IUPAC Name: 3-[2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfonyl-2-[[2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfonylmethyl]-4-hydroxy-5-oxofuran-2-carboxylic acid Traditional Name: 3-[2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(carboxymethylamino)-3-keto-propyl]sulfonyl-2-[[2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(carboxymethylamino)-3-keto-propyl]sulfonylmethyl]-4-hydroxy-5-keto-2-furoic acid Formula: C26H36N6O21S2 MolecularWeight: 832.72164

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NC(CS(=O)(=O)CC1(C(=C(C(=O)O1)O)S(=O)(=O)CC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N

Isomeric SMILES

C(CC(=O)NC(CS(=O)(=O)CC1(C(=C(C(=O)O1)O)S(=O)(=O)CC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N

InChI

InChI=1S/C26H36N6O21S2/c27-10(22(42)43)1-3-14(33)31-12(20(40)29-5-16(35)36)7-54(49,50)9-26(25(47)48)19(18(39)24(46)53-26)55(51,52)8-13(21(41)30-6-17(37)38)32-15(34)4-2-11(28)23(44)45/h10-13,39H,1-9,27-28H2,(H,29,40)(H,30,41)(H,31,33)(H,32,34)(H,35,36)(H,37,38)(H,42,43)(H,44,45)(H,47,48)