N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl- D-alanyl-D-alanine-diphosphoundecaprenol

Molecular Formula: C₈₆H₁₄₃N₇O₂₁P₂

InChI: InChI=1/C86H143N7O21P2/c1-57(2)30-20-31-58(3)32-21-33-59(4)34-22-35-60(5)36-23-37-61(6)38-24-39-62(7)40-25-41-63(8)42-26-43-64(9)44-27-45-65(10)46-28-47-66(11)48-29-49-67(12)53-55-110-115(106,107)114-116(108,109)113-86-77(91-72(17)95)79(78(98)75(56-94)112-86)111-71(16)82(101)88-69(14)81(100)92-74(51-52-76(96)97)84(103)93-73(50-18-19-54-87)83(102)89-68(13)80(99)90-70(15)85(104)105/h30,32,34,36,38,40,42,44,46,48,53,68-71,73-75,77-79,86,94,98H,18-29,31,33,35,37,39,41,43,45,47,49-52,54-56,87H2,1-17H3,(H,88,101)(H,89,102)(H,90,99)(H,91,95)(H,92,100)(H,93,103)(H,96,97)(H,104,105)(H,106,107)(H,108,109)/f/h88-93,96,104,106,108H

InChIKey: InChIKey=HEDORVQRXIQVTD-CLAVYLBLCB
SMILES: CC(C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)C

Names:
    C4
    N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl- D-alanyl-D-alanine-diphosphoundecaprenol
    4-[2-[2-[3-acetamido-5-hydroxy-2-[hydroxy-(hydroxy-(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl)oxy-phosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-[[5-amino-1-[1-(1-carboxyethylcarbamoyl)ethylcarbamoyl]pentyl]carbamoyl]butanoic acid

Registries:
    PubChem CID 656437
    PubChem ID 2187