Ketcher 04302019102D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 20.3549 -6.6529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4936 -5.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0872 -4.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0871 -7.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8916 -6.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8965 -4.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8194 -4.6529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3550 -3.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7662 -3.1507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8890 -7.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9532 -8.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6213 -7.6532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8194 -6.6530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2210 -6.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6238 -6.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0871 -6.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4911 -6.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7589 -6.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2210 -5.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9533 -6.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7614 -5.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6287 -4.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9534 -5.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3550 -4.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6312 -3.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7539 -8.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8194 -7.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7515 -9.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6854 -8.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 6 0 0 1 17 1 0 0 0 2 17 1 0 0 0 2 22 1 0 0 0 3 19 1 0 0 0 3 23 1 0 0 0 16 4 1 1 0 0 18 5 1 1 0 0 21 6 1 6 0 0 7 23 1 0 0 0 8 24 1 0 0 0 9 25 1 0 0 0 10 26 2 0 0 0 11 27 2 0 0 0 15 12 1 6 0 0 12 26 1 0 0 0 20 13 1 6 0 0 13 27 1 0 0 0 14 16 1 0 0 0 14 19 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 16 20 1 0 0 0 18 21 1 0 0 0 19 24 1 1 0 0 20 23 1 0 0 0 21 22 1 0 0 0 22 25 1 1 0 0 26 28 1 0 0 0 27 29 1 0 0 0 M END > CHEBI:148822 > D-GlcpNAc-(1->4)-D-GlcpNAc > An amino disaccharide consisting of two 2-acetamido-2-deoxy-D-glucopyranose residues joined by a (1→4) glycosidic bond. The stereochemistry at the anomeric centre of each D-GlcpNAc moiety is not stated. > 3 > WURCS=2.0/1,2,1/[a2122h-1x_1-5_2*NCC/3=O]/1-1/a4-b1; N-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; 2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose > GlcNAc(?1-4)GlcNAc; 2-acetamido-4-O-(2-acetamido-2-deoxy-D-glucopyranosyl)-2-deoxy-D-glucopyranose > C16H28N2O11 > 424.403 > 424.16931 > 0 > O([C@H]1[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]1CO)O)C2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO > InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16?/m1/s1 > CDOJPCSDOXYJJF-DFIFCAMYSA-N > G10179 $$$$