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醋酸去氨加压素 | 16789-98-3

醋酸去氨加压素结构式图片|16789-98-3结构式图片
醋酸去氨加压素
1-Deamino-8-D-arginine-vasopressin diacetate
16789-98-3
C50H72N14O16S2
1189.3209
醋酸去氨加压素 数据

Mol:

16789-98-3.mol    by:chem960.com
ChemDraw08031019472D

…………

11.0542 22.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0542 23.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4139 24.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4139 25.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7736 26.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1332 25.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1332 24.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7736 23.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4139 21.2461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4139 19.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0542 18.8911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7736 18.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7736 17.3211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4139 16.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0542 17.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4139 14.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0542 14.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6946 14.9661 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.3349 14.1811 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.9753 14.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1332 19.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4929 18.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8525 19.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.2122 18.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.2122 17.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.5719 16.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.8525 16.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4929 17.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
16 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 27 1 0 0 0 0
28 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 2 0 0 0 0
38 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 2 0 0 0 0
46 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 57 2 0 0 0 0
55 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 2 0 0 0 0
64 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 2 0 0 0 0
68 70 1 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 34 1 0 0 0 0
66 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
79 81 2 0 0 0 0
81 82 1 0 0 0 0
82 76 2 0 0 0 0
M END
醋酸去氨加压素 MDL: N/A

醋酸去氨加压素 InChIKey: GNASTRMPURYAFJ-UHFFFAOYSA-N

醋酸去氨加压素 Inchi: 1S/C46H64N14O12S2.2C2H4O2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25;2*1-2(3)4/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52);2*1H3,(H,3,4)

醋酸去氨加压素 SMILES: S1C([H])([H])C([H])(C(N2C([H])([H])C([H])([H])C([H])([H])C2([H])C(N([H])C([H])(C(N([H])C([H])([H])C(N([H])[H])=O)=O)C([H])([H])C([H])([H])C([H])([H])/N=C(\N([H])[H])/N([H])[H])=O)=O)N([H])C(C([H])(C([H])([H])C(N([H])[H])=O)N([H])C(C([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)N([H])C(C([H])(C([H])([H])C2C([H])=C([H])C([H])=C([H])C=2[H])N([H])C(C([H])(C([H])([H])C2C([H])=C([H])C(=C([H])C=2[H])O[H])N([H])C(C([H])([H])C([H])([H])S1)=O)=O)=O)=O)=O.O([H])C(C([H])([H])[H])=O.O([H])C(C([H])([H])[H])=O

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