undecaprenyl-pyrophosphoryl-MurNAc-pentapeptide

Molecular Formula: C₈₇H₁₄₃N₇O₂₃P₂

InChI: InChI=1/C87H143N7O23P2/c1-56(2)29-18-30-57(3)31-19-32-58(4)33-20-34-59(5)35-21-36-60(6)37-22-38-61(7)39-23-40-62(8)41-24-42-63(9)43-25-44-64(10)45-26-46-65(11)47-27-48-66(12)53-54-113-118(109,110)117-119(111,112)116-87-77(92-71(17)96)79(78(98)75(55-95)115-87)114-70(16)82(101)89-68(14)81(100)94-74(86(107)108)51-52-76(97)93-73(50-28-49-72(88)85(105)106)83(102)90-67(13)80(99)91-69(15)84(103)104/h29,31,33,35,37,39,41,43,45,47,53,67-70,72-75,77-79,87,95,98H,18-28,30,32,34,36,38,40,42,44,46,48-52,54-55,88H2,1-17H3,(H,89,101)(H,90,102)(H,91,99)(H,92,96)(H,93,97)(H,94,100)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)/f/h89-94,103,105,107,109,111H

InChIKey: InChIKey=PNWZQTONLRRPST-MMKKKZEHCN
SMILES: CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)NC(C)C(=O)NC(C)C(=O)O)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:
    C5
    lipid intermediate I
    N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptane- D-alanyl-D-alanine-diphosphoundecaprenol
    undecaprenyl-pyrophosphoryl-MurNAc-pentapeptide
    6-[[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-carboxy-butanoyl]amino]-2-amino-6-[1-(1-carboxyethylcarbamoyl)ethylcarbamoyl]hexanoic acid

Registries:
    PubChem CID 269
    PubChem ID 2188