Mol:
482577-59-3.mol by:chem960.com
ChemDraw08031019472D
…………
0 7.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 8.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 10.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 10.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 10.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 12.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 6.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 8.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 3 0 0 0 0
2 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 4 1 0 0 0 0
5 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
13 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
18 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
M END
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N-[(2'-氰基联苯-4-基)甲基]-L-缬氨酸甲酯盐酸盐 MDL: MFCD08460094
N-[(2'-氰基联苯-4-基)甲基]-L-缬氨酸甲酯盐酸盐 InChIKey: AZQXUWUZQLZNIM-FYZYNONXSA-N
N-[(2'-氰基联苯-4-基)甲基]-L-缬氨酸甲酯盐酸盐 Inchi: 1S/C20H22N2O2.ClH/c1-14(2)19(20(23)24-3)22-13-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-21;/h4-11,14,19,22H,13H2,1-3H3;1H/t19-;/m0./s1
N-[(2'-氰基联苯-4-基)甲基]-L-缬氨酸甲酯盐酸盐 SMILES: Cl[H].O(C([H])([H])[H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([H])([H])C1C([H])=C([H])C(C2=C([H])C([H])=C([H])C([H])=C2C#N)=C([H])C=1[H])=O