3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
44 46 0 1 0 0 0 0 0999 V2000
-0.2328 0.0452 0.9720 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8896 0.5549 -2.3836 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0403 0.1516 2.3849 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5033 -0.9823 0.7338 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8439 -1.9208 -0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2926 0.3051 0.0839 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0632 -0.2231 1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2324 -1.3372 0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5043 0.9948 0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7231 -0.8165 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8900 0.6142 -0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6321 -0.1049 2.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9864 -2.6917 0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5699 2.3158 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9628 -1.6527 -1.7453 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3371 1.5608 -1.4371 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2277 -3.5338 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0205 3.2693 0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7104 -3.0193 -1.5941 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3995 2.8957 -1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7290 0.4544 0.0410 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.2122 1.2465 -1.1781 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5720 0.1666 1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6191 2.6491 -1.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3248 -0.9415 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7665 -0.3815 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3541 -1.0084 2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5312 0.7606 2.7494 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6179 -3.0936 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2826 2.6082 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3375 -1.2708 -2.6891 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6352 1.2876 -2.4438 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0419 -4.6005 -0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0808 4.3132 0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8914 -3.6945 -2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7474 3.6558 -1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0330 0.9657 0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3050 1.3240 -1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7802 0.2458 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5325 2.6231 -1.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8486 3.2186 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0239 3.1899 -2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9219 0.5338 -2.4704 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8978 -1.8804 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 23 1 0 0 0 0
2 22 1 0 0 0 0
2 43 1 0 0 0 0
3 23 2 0 0 0 0
4 25 1 0 0 0 0
4 44 1 0 0 0 0
5 25 2 0 0 0 0
6 21 1 0 0 0 0
6 23 1 0 0 0 0
6 39 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 12 1 0 0 0 0
7 26 1 0 0 0 0
8 10 1 0 0 0 0
8 13 2 0 0 0 0
9 11 1 0 0 0 0
9 14 2 0 0 0 0
10 11 1 0 0 0 0
10 15 2 0 0 0 0
11 16 2 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
13 17 1 0 0 0 0
13 29 1 0 0 0 0
14 18 1 0 0 0 0
14 30 1 0 0 0 0
15 19 1 0 0 0 0
15 31 1 0 0 0 0
16 20 1 0 0 0 0
16 32 1 0 0 0 0
17 19 2 0 0 0 0
17 33 1 0 0 0 0
18 20 2 0 0 0 0
18 34 1 0 0 0 0
19 35 1 0 0 0 0
20 36 1 0 0 0 0
21 22 1 0 0 0 0
21 25 1 0 0 0 0
21 37 1 0 0 0 0
22 24 1 0 0 0 0
22 38 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
4.2 InChI
InChI=1S/C19H19NO5/c1-11(21)17(18(22)23)20-19(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17,21H,10H2,1H3,(H,20,24)(H,22,23)/t11-,17+/m1/s1
4.3 InChIKey
OYULCCKKLJPNPU-DIFFPNOSSA-N
4.4 Canonical SMILES
CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
4.5 Isomeric SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
4.6 SDF file
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
5.4 Infrared spectroscopy (IR)
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
