Chebi:232792

Structural Information

Molecular Formula

C₄₀H₆₆N₈O₂₂

SMILES

C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C

InChI

InChI=1S/C40H66N8O22/c1-14(32(56)44-16(3)36(60)61)43-35(59)21(9-7-8-20(41)37(62)63)47-25(53)11-10-22(38(64)65)48-33(57)15(2)42-34(58)17(4)67-31-27(46-19(6)52)39(66)68-24(13-50)30(31)70-40-26(45-18(5)51)29(55)28(54)23(12-49)69-40/h14-17,20-24,26-31,39-40,49-50,54-55,66H,7-13,41H2,1-6H3,(H,42,58)(H,43,59)(H,44,56)(H,45,51)(H,46,52)(H,47,53)(H,48,57)(H,60,61)(H,62,63)(H,64,65)/t14-,15+,16-,17-,20-,21+,22-,23-,24-,26-,27-,28-,29-,30-,31-,39?,40+/m1/s1

InChIKey

WRECOTYEPGFDFR-AJDOSHFQSA-N

Compound name

(2R,6S)-6-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid

Related CIDs

• CID 172638769