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Boc-L-Hyp-OH |
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ID: B182973 CAS:13726-69-7 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@H](C1)O FORMULA: C10H17NO5
MASS: 231.2457
EXACT MASS: 231.1106726
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 O 5 C 6
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N 1 0.0000
C 2 0.7401 0.0000
C 3 0.7417 1.3193 0.0000
C 4 1.3231 1.6125 0.7426 0.0000
O 5 1.2861 0.7425 1.5498 1.4778 0.0000
C 6 1.2051 1.9222 0.7457 1.3241 2.2756 0.0000
C 7 0.7432 1.3248 1.1984 1.9192 1.9896 1.2000
O 8 1.2836 0.7464 1.9851 2.3557 1.2909 2.4745
C 9 1.2056 1.9238 1.2030 1.9221 2.4777 0.7426
O 10 1.9851 2.3515 1.2836 0.7422 2.1872 1.5451
C 11 1.9640 1.2866 2.2922 2.1677 0.7426 3.0141
O 12 1.5522 1.4778 1.2866 0.7425 1.0125 1.9898
O 13 1.9228 2.6130 1.9244 2.6168 3.2059 1.3269
C 14 2.5685 1.9609 2.7476 2.4334 1.2824 3.4923
C 15 2.2252 1.4851 2.7281 2.7618 1.2852 3.3919
C 16 2.6886 1.9840 3.0301 2.8617 1.4804 3.7537
C 7 O 8 C 9 O 10 C 11 O 12
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C 7 0.0000
O 8 1.5502 0.0000
C 9 0.7426 2.2730 0.0000
O 10 2.4673 3.0917 2.2673 0.0000
C 11 2.6105 1.4905 3.1694 2.8362 0.0000
O 12 2.2736 2.1912 2.4769 1.2876 1.5692 0.0000
O 13 1.3193 2.8560 0.7417 2.8605 3.8816 3.2079
C 14 3.2628 2.2291 3.7559 2.9894 0.7387 1.7170
C 15 2.7322 1.2902 3.3928 3.4709 0.7417 2.2486
C 16 3.3046 2.0131 3.8934 3.4920 0.7396 2.2050
O 13 C 14 C 15 C 16
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O 13 0.0000
C 14 4.4872 0.0000
C 15 4.0501 1.2827 0.0000
C 16 4.5956 0.6760 0.8032 0.0000
ATOMIC CHARGES
N 1 -0.2344379491
C 2 0.4051041002
C 3 0.1841871354
C 4 0.3826351679
O 5 -0.4417808913
C 6 0.0661999216
C 7 0.1300444524
O 8 -0.2261854754
C 9 0.1740412515
O 10 -0.2438141556
C 11 0.1378300128
O 12 -0.2438141556
O 13 -0.2212339719
C 14 0.0437415191
C 15 0.0437415191
C 16 0.0437415191
BOND ANGLES
6 3 1 C3 C3 Nam 108.231
1 3 6 Nam C3 C3 108.231
13 9 7 O3 C3 C3 125.457
9 7 1 C3 C3 Nam 108.475
6 9 7 C3 C3 C3 107.803
9 7 1 C3 C3 Nam 108.475
7 9 13 C3 C3 O3 125.457
6 9 13 C3 C3 O3 126.739
7 9 6 C3 C3 C3 107.803
13 9 6 O3 C3 C3 126.739
TORSION ANGLES
5 2 1 3 0.026
5 2 1 7 179.974
8 2 1 3 179.974
8 2 1 7 0.026
4 3 1 2 0.026
4 3 1 7 179.974
6 3 1 2 179.974
6 3 1 7 0.026
10 4 3 1 179.974
10 4 3 6 0.026
12 4 3 1 0.026
12 4 3 6 179.974
11 5 2 1 179.974
11 5 2 8 0.026
1 3 6 9 0.026
4 3 6 9 179.974
9 7 1 2 179.974
9 7 1 3 0.026
13 9 7 1 179.974
6 9 7 1 0.026
14 11 5 2 179.974
15 11 5 2 0.026
16 11 5 2 179.974
7 9 6 3 0.026
13 9 6 3 179.974
CHIRAL ATOMS
N 1 is chiral: counterclockwise
C 3 is chiral: counterclockwise
C 9 is chiral: counterclockwise
C 11 is chiral: counterclockwise
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