Analyte Name

N-Acetyl-beta-D-glucosaminyl-N-acetylmuramyl-L-alanyl-D-isoglutamine

CAS Number

70280-03-4

Molecular Formula

C27 H45 N5 O16

Molecular Weight

695.67

Accurate Mass

695.286

SMILES

C[C@H](NC(=O)[C@@H](C)O[C@H]([C@@H](NC(=O)C)C=O)[C@H](OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C)[C@H](O)CO)C(=O)N[C@H](CCC(=O)O)C(=O)N

InChI

InChI=1S/C27H45N5O16/c1-10(25(44)32-14(24(28)43)5-6-18(39)40)29-26(45)11(2)46-22(15(7-33)30-12(3)36)23(16(38)8-34)48-27-19(31-13(4)37)21(42)20(41)17(9-35)47-27/h7,10-11,14-17,19-23,27,34-35,38,41-42H,5-6,8-9H2,1-4H3,(H2,28,43)(H,29,45)(H,30,36)(H,31,37)(H,32,44)(H,39,40)/t10-,11+,14+,15-,16+,17+,19+,20+,21+,22+,23+,27?/m0/s1

IUPAC

(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-1-oxohexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat