5-acetamido-2-[2-[5-acetamido-6-[5-acetamido-6-[(3-acetamido-4-azanyl-4-oxidanylidene-butanoyl)amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: 5-acetamido-2-[2-[5-acetamido-6-[5-acetamido-6-[(3-acetamido-4-azanyl-4-oxidanylidene-butanoyl)amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-acetamido-2-[2-[5-acetamido-6-[5-acetamido-6-[(3-acetamido-4-amino-4-oxo-butanoyl)amino]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 5-acetamido-2-[[2-[[5-acetamido-6-[[5-acetamido-6-[(3-acetamido-4-amino-1,4-dioxobutyl)amino]-4-hydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4-hydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 5-acetamido-2-[2-[5-acetamido-6-[5-acetamido-6-[(3-acetamido-4-amino-4-oxobutanoyl)amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 5-acetamido-2-[2-[5-acetamido-6-[5-acetamido-6-[(3-acetamido-4-amino-4-keto-butanoyl)amino]-4-hydroxy-2-methylol-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methylol-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C39H64N6O26 MolecularWeight: 1032.95006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC3C(OC(C(C3O)NC(=O)C)OC4C(OC(C(C4O)NC(=O)C)NC(=O)CC(C(=O)N)NC(=O)C)CO)CO)CO)O)O

Isomeric SMILES

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC3C(OC(C(C3O)NC(=O)C)OC4C(OC(C(C4O)NC(=O)C)NC(=O)CC(C(=O)N)NC(=O)C)CO)CO)CO)O)O

InChI

InChI=1S/C39H64N6O26/c1-11(50)41-15(34(40)62)5-21(56)45-35-23(43-13(3)52)27(59)30(19(9-48)65-35)68-36-24(44-14(4)53)28(60)31(20(10-49)67-36)69-37-29(61)33(26(58)18(8-47)66-37)71-39(38(63)64)6-16(54)22(42-12(2)51)32(70-39)25(57)17(55)7-46/h15-20,22-33,35-37,46-49,54-55,57-61H,5-10H2,1-4H3,(H2,40,62)(H,41,50)(H,42,51)(H,43,52)(H,44,53)(H,45,56)(H,63,64)