Showing NP-Card for Friomaramide B (NP0331359)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | |||||||||||||||
| Created at | 2022-12-23 00:36:50 UTC | |||||||||||||||
| Updated at | 2024-04-19 09:38:34 UTC | |||||||||||||||
| NP-MRD ID | NP0331359 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Friomaramide B | |||||||||||||||
| Description | Not Available | |||||||||||||||
| Structure |  MOL for NP0331359 (Friomaramide B)
Mrv1652312232201362D
79 83 0 0 1 0 999 V2000
4.7005 -2.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3727 -3.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5532 -3.5171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2253 -4.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0614 -2.8547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2419 -2.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7501 -2.2869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0780 -1.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9306 -2.3815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6028 -3.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2168 -3.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0945 -3.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4388 -1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3807 -1.8137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7085 -2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8724 -1.1513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6920 -1.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1837 -0.5835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0033 -0.6781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.4950 -0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3146 -0.1103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8063 0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6424 -0.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4619 -0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9537 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7068 0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3792 0.9657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0416 0.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7786 -0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3244 -0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1330 -0.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3960 0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8503 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1672 0.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3311 -1.4352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.1507 -1.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8394 -2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1672 -2.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8559 0.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0198 -2.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5446 -0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0364 0.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2749 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7667 -0.9620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9140 -3.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3892 -2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8975 -1.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1789 -1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2253 -0.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8644 -4.0849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6894 -4.0765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1675 -3.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9888 -3.4819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4668 -2.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1236 -2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3023 -1.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9590 -1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4371 -0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2584 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6016 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3320 -4.2321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1534 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4966 -5.0602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.3179 -5.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7960 -4.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4527 -3.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9308 -3.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7521 -3.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0954 -3.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6173 -4.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0186 -5.7325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3618 -6.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1831 -6.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8838 -7.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6314 -3.6376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8242 -2.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9524 -4.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2899 -5.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6176 -4.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
5 3 1 6 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
9 7 1 1 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
9 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
16 14 1 6 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
19 18 1 1 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 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
28 33 1 0 0 0 0
20 34 2 0 0 0 0
19 35 1 0 0 0 0
35 36 1 6 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
18 39 1 0 0 0 0
17 40 2 0 0 0 0
16 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
13 44 2 0 0 0 0
6 45 2 0 0 0 0
5 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
47 49 1 0 0 0 0
50 2 1 1 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
55 60 1 0 0 0 0
53 61 1 6 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 2 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
65 70 1 0 0 0 0
63 71 1 6 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 2 0 0 0 0
62 75 2 0 0 0 0
52 76 2 0 0 0 0
51 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
50 79 1 0 0 0 0
M END
3D SDF for NP0331359 (Friomaramide B)
Mrv1652312232201362D
79 83 0 0 1 0 999 V2000
4.7005 -2.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3727 -3.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5532 -3.5171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2253 -4.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0614 -2.8547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2419 -2.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7501 -2.2869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0780 -1.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9306 -2.3815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6028 -3.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2168 -3.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0945 -3.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4388 -1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3807 -1.8137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7085 -2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8724 -1.1513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6920 -1.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1837 -0.5835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0033 -0.6781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.4950 -0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3146 -0.1103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8063 0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6424 -0.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4619 -0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9537 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7068 0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3792 0.9657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0416 0.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7786 -0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3244 -0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1330 -0.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3960 0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8503 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1672 0.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3311 -1.4352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.1507 -1.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8394 -2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1672 -2.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8559 0.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0198 -2.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5446 -0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0364 0.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2749 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7667 -0.9620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9140 -3.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3892 -2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8975 -1.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1789 -1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2253 -0.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8644 -4.0849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6894 -4.0765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1675 -3.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9888 -3.4819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4668 -2.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1236 -2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3023 -1.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9590 -1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4371 -0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2584 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6016 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3320 -4.2321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1534 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4966 -5.0602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.3179 -5.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7960 -4.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4527 -3.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9308 -3.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7521 -3.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0954 -3.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6173 -4.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0186 -5.7325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3618 -6.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1831 -6.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8838 -7.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6314 -3.6376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8242 -2.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9524 -4.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2899 -5.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6176 -4.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
5 3 1 6 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
9 7 1 1 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
9 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
16 14 1 6 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
19 18 1 1 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 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
28 33 1 0 0 0 0
20 34 2 0 0 0 0
19 35 1 0 0 0 0
35 36 1 6 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
18 39 1 0 0 0 0
17 40 2 0 0 0 0
16 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
13 44 2 0 0 0 0
6 45 2 0 0 0 0
5 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
47 49 1 0 0 0 0
50 2 1 1 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
55 60 1 0 0 0 0
53 61 1 6 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 2 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
65 70 1 0 0 0 0
63 71 1 6 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 2 0 0 0 0
62 75 2 0 0 0 0
52 76 2 0 0 0 0
51 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
50 79 1 0 0 0 0
M END
> <DATABASE_ID>
NP0331359
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CC[C@H](C)[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(C)=O)C(=O)N(C)\C=C/C1=CNC2=C1C=CC=C2
> <INCHI_IDENTIFIER>
InChI=1S/C62H87N9O8/c1-15-42(8)55(60(77)66(10)34-32-46-38-63-48-30-23-22-29-47(46)48)70(14)62(79)54(41(6)7)69(13)61(78)53(40(4)5)68(12)59(76)52(35-39(2)3)67(11)58(75)51-31-24-33-71(51)57(74)50(37-45-27-20-17-21-28-45)65-56(73)49(64-43(9)72)36-44-25-18-16-19-26-44/h16-23,25-30,32,34,38-42,49-55,63H,15,24,31,33,35-37H2,1-14H3,(H,64,72)(H,65,73)/b34-32-/t42-,49-,50-,51-,52-,53-,54-,55-/m0/s1
> <INCHI_KEY>
XAANMDHNUSTMGL-PWGRBXGJSA-N
> <FORMULA>
C62H87N9O8
> <MOLECULAR_WEIGHT>
1086.433
> <EXACT_MASS>
1085.667760797
$$$$
PDB for NP0331359 (Friomaramide B)HEADER PROTEIN 23-DEC-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-DEC-22 0 HETATM 1 O UNK 0 8.774 -4.975 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 8.162 -6.389 0.000 0.00 0.00 C+0 HETATM 3 N UNK 0 6.633 -6.565 0.000 0.00 0.00 N+0 HETATM 4 C UNK 0 6.021 -7.978 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 5.715 -5.329 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 4.185 -5.505 0.000 0.00 0.00 C+0 HETATM 7 N UNK 0 3.267 -4.269 0.000 0.00 0.00 N+0 HETATM 8 C UNK 0 3.879 -2.856 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 1.737 -4.445 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 1.125 -5.859 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.405 -6.035 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 2.043 -7.095 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 0.819 -3.209 0.000 0.00 0.00 C+0 HETATM 14 N UNK 0 -0.711 -3.386 0.000 0.00 0.00 N+0 HETATM 15 C UNK 0 -1.323 -4.799 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.629 -2.149 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -3.158 -2.326 0.000 0.00 0.00 C+0 HETATM 18 N UNK 0 -4.076 -1.089 0.000 0.00 0.00 N+0 HETATM 19 C UNK 0 -5.606 -1.266 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -6.524 -0.029 0.000 0.00 0.00 C+0 HETATM 21 N UNK 0 -8.054 -0.206 0.000 0.00 0.00 N+0 HETATM 22 C UNK 0 -8.972 1.031 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -8.666 -1.619 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -10.196 -1.796 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -11.114 -0.559 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -10.653 0.910 0.000 0.00 0.00 C+0 HETATM 27 N UNK 0 -11.908 1.803 0.000 0.00 0.00 N+0 HETATM 28 C UNK 0 -13.144 0.885 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -12.653 -0.575 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -13.672 -1.730 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -15.182 -1.425 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -15.673 0.035 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -14.654 1.189 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 -5.912 1.384 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 -6.218 -2.679 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -7.748 -2.856 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -5.300 -3.916 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -5.912 -5.329 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -3.464 0.324 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 -3.770 -3.739 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 -1.017 -0.736 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.935 0.501 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 0.513 -0.559 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 1.431 -1.796 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 3.573 -6.919 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 6.327 -3.916 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 5.409 -2.679 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 4.067 -1.923 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 6.021 -1.266 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 9.080 -7.625 0.000 0.00 0.00 C+0 HETATM 51 N UNK 0 10.620 -7.609 0.000 0.00 0.00 N+0 HETATM 52 C UNK 0 11.513 -6.354 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 13.046 -6.500 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 13.938 -5.245 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 13.297 -3.844 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 11.764 -3.699 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 11.123 -2.298 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 12.016 -1.043 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 13.549 -1.189 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 14.190 -2.589 0.000 0.00 0.00 C+0 HETATM 61 N UNK 0 13.686 -7.900 0.000 0.00 0.00 N+0 HETATM 62 C UNK 0 15.220 -8.045 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 15.860 -9.446 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 17.393 -9.591 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 18.286 -8.336 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 17.645 -6.935 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 18.538 -5.680 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 20.071 -5.826 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 20.711 -7.226 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 19.819 -8.481 0.000 0.00 0.00 C+0 HETATM 71 N UNK 0 14.968 -10.701 0.000 0.00 0.00 N+0 HETATM 72 C UNK 0 15.609 -12.101 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 17.142 -12.246 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 14.716 -13.356 0.000 0.00 0.00 O+0 HETATM 75 O UNK 0 16.112 -6.790 0.000 0.00 0.00 O+0 HETATM 76 O UNK 0 10.872 -4.954 0.000 0.00 0.00 O+0 HETATM 77 C UNK 0 11.111 -9.069 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 9.875 -9.987 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 8.619 -9.095 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 50 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 46 CONECT 6 5 7 45 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 13 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 CONECT 13 9 14 44 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 41 CONECT 17 16 18 40 CONECT 18 17 19 39 CONECT 19 18 20 35 CONECT 20 19 21 34 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 CONECT 24 23 25 CONECT 25 24 26 29 CONECT 26 25 27 CONECT 27 26 28 CONECT 28 27 29 33 CONECT 29 28 25 30 CONECT 30 29 31 CONECT 31 30 32 CONECT 32 31 33 CONECT 33 32 28 CONECT 34 20 CONECT 35 19 36 37 CONECT 36 35 CONECT 37 35 38 CONECT 38 37 CONECT 39 18 CONECT 40 17 CONECT 41 16 42 43 CONECT 42 41 CONECT 43 41 CONECT 44 13 CONECT 45 6 CONECT 46 5 47 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 CONECT 50 2 51 79 CONECT 51 50 52 77 CONECT 52 51 53 76 CONECT 53 52 54 61 CONECT 54 53 55 CONECT 55 54 56 60 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 59 CONECT 59 58 60 CONECT 60 59 55 CONECT 61 53 62 CONECT 62 61 63 75 CONECT 63 62 64 71 CONECT 64 63 65 CONECT 65 64 66 70 CONECT 66 65 67 CONECT 67 66 68 CONECT 68 67 69 CONECT 69 68 70 CONECT 70 69 65 CONECT 71 63 72 CONECT 72 71 73 74 CONECT 73 72 CONECT 74 72 CONECT 75 62 CONECT 76 52 CONECT 77 51 78 CONECT 78 77 79 CONECT 79 78 50 MASTER 0 0 0 0 0 0 0 0 79 0 166 0 END SMILES for NP0331359 (Friomaramide B)CC[C@H](C)[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(C)=O)C(=O)N(C)\C=C/C1=CNC2=C1C=CC=C2 INCHI for NP0331359 (Friomaramide B)InChI=1S/C62H87N9O8/c1-15-42(8)55(60(77)66(10)34-32-46-38-63-48-30-23-22-29-47(46)48)70(14)62(79)54(41(6)7)69(13)61(78)53(40(4)5)68(12)59(76)52(35-39(2)3)67(11)58(75)51-31-24-33-71(51)57(74)50(37-45-27-20-17-21-28-45)65-56(73)49(64-43(9)72)36-44-25-18-16-19-26-44/h16-23,25-30,32,34,38-42,49-55,63H,15,24,31,33,35-37H2,1-14H3,(H,64,72)(H,65,73)/b34-32-/t42-,49-,50-,51-,52-,53-,54-,55-/m0/s1 3D Structure for NP0331359 (Friomaramide B) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C62H87N9O8 | |||||||||||||||
| Average Mass | 1086.4330 Da | |||||||||||||||
| Monoisotopic Mass | 1085.66776 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CC[C@H](C)[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(C)=O)C(=O)N(C)\C=C/C1=CNC2=C1C=CC=C2 | |||||||||||||||
| InChI Identifier | InChI=1S/C62H87N9O8/c1-15-42(8)55(60(77)66(10)34-32-46-38-63-48-30-23-22-29-47(46)48)70(14)62(79)54(41(6)7)69(13)61(78)53(40(4)5)68(12)59(76)52(35-39(2)3)67(11)58(75)51-31-24-33-71(51)57(74)50(37-45-27-20-17-21-28-45)65-56(73)49(64-43(9)72)36-44-25-18-16-19-26-44/h16-23,25-30,32,34,38-42,49-55,63H,15,24,31,33,35-37H2,1-14H3,(H,64,72)(H,65,73)/b34-32-/t42-,49-,50-,51-,52-,53-,54-,55-/m0/s1 | |||||||||||||||
| InChI Key | XAANMDHNUSTMGL-PWGRBXGJSA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
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| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin | Not Available | |||||||||||||||
| Chemical Taxonomy | ||||||||||||||||
| Classification | Not classified | |||||||||||||||
| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||
| External Links | Not Available | |||||||||||||||
| References | ||||||||||||||||
| General References | Not Available | |||||||||||||||
