UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine

Molecular Formula: C₄₀H₆₃N₉O₂₈P₂

InChI: InChI=1/C40H63N9O28P2/c1-14(30(56)44-16(3)35(60)61)43-33(59)20(8-6-7-19(41)36(62)63)46-23(51)10-9-21(37(64)65)47-31(57)15(2)42-32(58)17(4)73-29-25(45-18(5)50)39(75-38(66)28(29)55)76-79(70,71)77-78(68,69)72-13-22-26(53)27(54)34(74-22)49-12-11-24(52)48-40(49)67/h11-12,14-17,19-22,25-29,34,38-39,53-55,66H,6-10,13,41H2,1-5H3,(H,42,58)(H,43,59)(H,44,56)(H,45,50)(H,46,51)(H,47,57)(H,60,61)(H,62,63)(H,64,65)(H,68,69)(H,70,71)(H,48,52,67)/t14-,15+,16-,17u,19?,20+,21-,22-,25-,26-,27-,28+,29-,34-,38+,39?/m1/s1/f/h42-48,60,62,64,68,70H

InChIKey: InChIKey=KMYQBOZRGWJRPM-IMHPNBOUDE
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)O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C

Names:
    C04828
    UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine
    UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-(D-Ala)2
    (6S)-6-[[(4R)-4-[[(2S)-2-[2-[(3R,4R,5S,6S)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5,6-dihydroxy-oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxy-butanoyl]amino]-2-amino-6-[[(1R)-1-[[(1R)-1-carboxyethyl]carbamoyl]ethyl]carbamoyl]hexanoic acid

Registries:
    PubChem CID 440501
    PubChem ID 7389