N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine

Molecular Formula: C₃₃H₅₄N₆O₂₀

InChI: InChI=1/C33H54N6O20/c1-11(26(47)39-17(30(53)54)8-9-19(43)38-16(29(51)52)7-5-6-15(34)28(49)50)35-27(48)12(2)56-25-21(37-14(4)42)31(55)58-33(24(25)46)59-32-20(36-13(3)41)23(45)22(44)18(10-40)57-32/h11-12,15-18,20-25,31-33,40,44-46,55H,5-10,34H2,1-4H3,(H,35,48)(H,36,41)(H,37,42)(H,38,43)(H,39,47)(H,49,50)(H,51,52)(H,53,54)/t11-,12u,15?,16-,17+,18+,20+,21+,22+,23+,24-,25+,31?,32-,33+/m0/s1/f/h35-39,49,51,53H

InChIKey: InChIKey=GGQSPFOOXYIGQQ-STFUVSGMDU
SMILES: CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)O)NC(=O)C

Names:
    C04876
    N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine
    (2S)-2-[[(4R)-4-[[(2S)-2-[2-[(2R,3S,4R,5R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxy-oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxy-butanoyl]amino]-6-amino-heptanedioic acid

Registries:
    PubChem CID 5462270
    PubChem ID 7428