6-[[4-[2-[2-[2-acetamido-4-[3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5,6-bis(oxidanyl)-1-oxidanylidene-hexan-3-yl]oxypropanoylamino]propanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-2-azanyl-7-oxidanylidene-7-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]heptanoic acid

Systemtic Name: 6-[[4-[2-[2-[2-acetamido-4-[3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5,6-bis(oxidanyl)-1-oxidanylidene-hexan-3-yl]oxypropanoylamino]propanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-2-azanyl-7-oxidanylidene-7-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]heptanoic acid Openeye Name: 6-[[4-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1-(1-acetamido-2-oxo-ethyl)-3,4-dihydroxy-butoxy]propanoylamino]propanoylamino]-5-hydroxy-5-oxo-pentanoyl]amino]-2-amino-7-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-7-oxo-heptanoic acid CAS Name: 6-[[4-[[2-[[2-[2-acetamido-4-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5,6-dihydroxy-1-oxohexan-3-yl]oxy-1-oxopropyl]amino]-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-2-amino-7-[(1-hydroxy-1-oxopropan-2-yl)amino]-7-oxoheptanoic acid IUPAC Name: 6-[[4-[2-[2-[2-acetamido-4-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-1-oxohexan-3-yl]oxypropanoylamino]propanoylamino]-5-hydroxy-5-oxopentanoyl]amino]-2-amino-7-[(1-hydroxy-1-oxopropan-2-yl)amino]-7-oxoheptanoic acid Traditional Name: 6-[[4-[2-[2-[2-(3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-1-(1-acetamido-2-keto-ethyl)-3,4-dihydroxy-butoxy]propanoylamino]propanoylamino]-5-hydroxy-5-keto-pentanoyl]amino]-2-amino-7-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-7-keto-enanthic acid Formula: C37H61N7O21 MolecularWeight: 939.91454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)NC(C)C(=O)O)C(=O)O)NC(=O)C(C)OC(C(C=O)NC(=O)C)C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C

Isomeric SMILES

CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)NC(C)C(=O)O)C(=O)O)NC(=O)C(C)OC(C(C=O)NC(=O)C)C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C

InChI

InChI=1S/C37H61N7O21/c1-14(31(54)44-21(36(61)62)9-10-25(51)43-20(8-6-7-19(38)35(59)60)33(56)40-15(2)34(57)58)39-32(55)16(3)63-29(22(11-45)41-17(4)48)30(23(50)12-46)65-37-26(42-18(5)49)28(53)27(52)24(13-47)64-37/h11,14-16,19-24,26-30,37,46-47,50,52-53H,6-10,12-13,38H2,1-5H3,(H,39,55)(H,40,56)(H,41,48)(H,42,49)(H,43,51)(H,44,54)(H,57,58)(H,59,60)(H,61,62)