(3S,4S,5R)-6-[2-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanyl-5-(carboxymethylcarbamoyl)-3-oxidanyl-phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (3S,4S,5R)-6-[2-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanyl-5-(carboxymethylcarbamoyl)-3-oxidanyl-phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (3S,4S,5R)-6-[2-[2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(carboxymethylamino)-3-oxo-propyl]sulfanyl-5-(carboxymethylcarbamoyl)-3-hydroxy-phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (3S,4S,5R)-6-[2-[[2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(carboxymethylamino)-3-oxopropyl]thio]-5-[(carboxymethylamino)-oxomethyl]-3-hydroxyphenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (3S,4S,5R)-6-[2-[2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-(carboxymethylcarbamoyl)-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (3S,4S,5R)-6-[2-[[2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(carboxymethylamino)-3-keto-propyl]thio]-5-(carboxymethylcarbamoyl)-3-hydroxy-phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C25H32N4O17S MolecularWeight: 692.60318

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)OC2C(C(C(C(O2)C(=O)O)O)O)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)OC2[C@@H]([C@H]([C@@H](C(O2)C(=O)O)O)O)O)C(=O)NCC(=O)O

InChI

InChI=1S/C25H32N4O17S/c26-9(23(41)42)1-2-13(31)29-10(22(40)28-6-15(34)35)7-47-20-11(30)3-8(21(39)27-5-14(32)33)4-12(20)45-25-18(38)16(36)17(37)19(46-25)24(43)44/h3-4,9-10,16-19,25,30,36-38H,1-2,5-7,26H2,(H,27,39)(H,28,40)(H,29,31)(H,32,33)(H,34,35)(H,41,42)(H,43,44)/t9?,10?,16-,17-,18+,19?,25?/m0/s1