Showing NP-Card for Leucinostatin A (NP0353301)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-20 01:46:12 UTC | |||||||||||||||
| Updated at | 2026-02-20 04:01:24 UTC | |||||||||||||||
| NP-MRD ID | NP0353301 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/7759 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Leucinostatin A | |||||||||||||||
| Description | Leucinostatin A was first documented in 2019 (PMID: 31017786). | |||||||||||||||
| Structure |  MOL for NP0353301 (Leucinostatin A)
Mrv2104 03202322582D
86 86 0 0 1 0 999 V2000
9.7835 5.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9468 5.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7288 4.8903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.3475 5.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8920 4.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6740 3.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8372 3.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2185 2.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6192 2.7470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.2916 3.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9540 2.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
14.7412 2.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6911 1.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8661 1.9598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.3744 1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5548 1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7022 0.5403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2105 -0.1221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.3909 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8992 -0.6899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.2270 -1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0796 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5879 -1.2577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9157 -2.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7683 -1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2766 -1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6044 -2.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4570 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9653 -2.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5383 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3578 -0.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0465 -1.5416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.3744 -2.2987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.1939 -2.3934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.5217 -3.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.6857 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8654 -0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5052 -1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8826 -2.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0631 -2.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2105 -3.7182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.7187 -4.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0563 -3.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3812 -4.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2270 -5.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4074 -4.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5548 -5.8002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.0631 -6.4626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.2435 -6.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7518 -7.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9322 -6.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0796 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3909 -7.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2105 -7.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8992 -7.8821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.2270 -8.6392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.0465 -8.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5383 -8.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7181 -7.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3578 -8.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7353 -9.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9157 -9.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0631 -10.0587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5714 -10.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9089 -10.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2338 -11.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0796 -11.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2601 -11.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4074 -12.1407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9157 -12.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2533 -12.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5781 -13.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4240 -13.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6044 -13.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7518 -14.2226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2601 -14.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5879 -15.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0962 -16.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2766 -16.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4240 -17.0616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9322 -17.7241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1127 -17.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2601 -18.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7683 -19.1436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0962 -19.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9488 -19.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
3 2 1 0 0 0 0
3 4 1 6 0 0 0
3 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 4 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
11 10 1 0 0 0 0
11 12 1 1 0 0 0
11 13 1 0 0 0 0
14 13 1 0 0 0 0
14 9 1 0 0 0 0
14 15 1 1 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
18 17 1 6 0 0 0
18 19 1 0 0 0 0
20 19 1 0 0 0 0
20 21 1 6 0 0 0
20 22 1 0 0 0 0
23 22 1 0 0 0 0
23 24 1 1 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
18 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
34 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
33 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
42 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
48 47 1 6 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
50 52 1 0 0 0 0
48 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
56 55 1 1 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
56 61 1 0 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
64 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
70 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 2 0 0 0 0
78 80 1 0 0 0 0
81 80 1 0 0 0 0
81 82 1 6 0 0 0
81 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
84 86 1 0 0 0 0
M END
3D SDF for NP0353301 (Leucinostatin A)
Mrv2104 03202322582D
86 86 0 0 1 0 999 V2000
9.7835 5.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9468 5.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7288 4.8903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.3475 5.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8920 4.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6740 3.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8372 3.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2185 2.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6192 2.7470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.2916 3.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9540 2.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
14.7412 2.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6911 1.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8661 1.9598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.3744 1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5548 1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7022 0.5403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2105 -0.1221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.3909 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8992 -0.6899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.2270 -1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0796 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5879 -1.2577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9157 -2.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7683 -1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2766 -1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6044 -2.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4570 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9653 -2.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5383 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3578 -0.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0465 -1.5416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.3744 -2.2987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.1939 -2.3934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.5217 -3.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.6857 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8654 -0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5052 -1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8826 -2.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0631 -2.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2105 -3.7182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.7187 -4.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0563 -3.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3812 -4.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2270 -5.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4074 -4.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5548 -5.8002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.0631 -6.4626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.2435 -6.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7518 -7.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9322 -6.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0796 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3909 -7.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2105 -7.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8992 -7.8821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.2270 -8.6392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.0465 -8.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5383 -8.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7181 -7.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3578 -8.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7353 -9.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9157 -9.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0631 -10.0587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5714 -10.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9089 -10.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2338 -11.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0796 -11.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2601 -11.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4074 -12.1407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9157 -12.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2533 -12.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5781 -13.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4240 -13.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6044 -13.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7518 -14.2226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2601 -14.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5879 -15.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0962 -16.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2766 -16.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4240 -17.0616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9322 -17.7241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1127 -17.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2601 -18.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7683 -19.1436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0962 -19.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9488 -19.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
3 2 1 0 0 0 0
3 4 1 6 0 0 0
3 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 4 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
11 10 1 0 0 0 0
11 12 1 1 0 0 0
11 13 1 0 0 0 0
14 13 1 0 0 0 0
14 9 1 0 0 0 0
14 15 1 1 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
18 17 1 6 0 0 0
18 19 1 0 0 0 0
20 19 1 0 0 0 0
20 21 1 6 0 0 0
20 22 1 0 0 0 0
23 22 1 0 0 0 0
23 24 1 1 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
18 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
34 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
33 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
42 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
48 47 1 6 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
50 52 1 0 0 0 0
48 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
56 55 1 1 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
56 61 1 0 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
64 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
70 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 2 0 0 0 0
78 80 1 0 0 0 0
81 80 1 0 0 0 0
81 82 1 6 0 0 0
81 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
84 86 1 0 0 0 0
M END
> <DATABASE_ID>
NP0353301
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CC[C@H](C)C=CC(=O)N1C[C@@H](C)C[C@H]1C(=O)N[C@@H](C[C@H](C)C[C@@H](O)CC(=O)CC)C(=O)N[C@@H]([C@H](O)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C
> <INCHI_IDENTIFIER>
InChI=1S/C62H111N11O13/c1-21-38(9)23-24-49(77)73-33-40(11)31-47(73)55(82)66-46(30-39(10)29-43(75)32-42(74)22-2)53(80)68-50(51(78)37(7)8)56(83)70-61(15,16)58(85)67-44(27-35(3)4)52(79)65-45(28-36(5)6)54(81)69-62(17,18)59(86)71-60(13,14)57(84)63-26-25-48(76)64-41(12)34-72(19)20/h23-24,35-41,43-47,50-51,75,78H,21-22,25-34H2,1-20H3,(H,63,84)(H,64,76)(H,65,79)(H,66,82)(H,67,85)(H,68,80)(H,69,81)(H,70,83)(H,71,86)/t38-,39+,40-,41-,43+,44-,45-,46-,47-,50-,51+/m0/s1
> <INCHI_KEY>
FOAIGCPESMNWQP-IVDCCMDASA-N
> <FORMULA>
C62H111N11O13
> <MOLECULAR_WEIGHT>
1218.634
> <EXACT_MASS>
1217.836282678
$$$$
PDB for NP0353301 (Leucinostatin A)HEADER PROTEIN 20-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-MAR-23 0 HETATM 1 C UNK 0 18.263 11.129 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 18.567 9.619 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 20.027 9.129 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 21.182 10.147 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 20.332 7.619 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 21.791 7.128 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 22.096 5.619 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 20.941 4.600 0.000 0.00 0.00 O+0 HETATM 9 N UNK 0 23.556 5.128 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 24.811 6.020 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 26.048 5.102 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 27.517 5.563 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 25.557 3.643 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 24.017 3.658 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 23.099 2.422 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 21.569 2.598 0.000 0.00 0.00 O+0 HETATM 17 N UNK 0 23.711 1.009 0.000 0.00 0.00 N+0 HETATM 18 C UNK 0 22.793 -0.228 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 21.263 -0.051 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 20.345 -1.288 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 20.957 -2.701 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 18.815 -1.111 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 17.897 -2.348 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 18.509 -3.761 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 16.368 -2.171 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 15.450 -3.408 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 16.062 -4.821 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 13.920 -3.231 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 13.002 -4.468 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 23.405 -1.641 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 24.935 -1.818 0.000 0.00 0.00 O+0 HETATM 32 N UNK 0 22.487 -2.878 0.000 0.00 0.00 N+0 HETATM 33 C UNK 0 23.099 -4.291 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 24.629 -4.468 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 25.241 -5.881 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 25.547 -3.231 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 25.882 -1.728 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 27.076 -3.408 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 22.181 -5.527 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 20.651 -5.351 0.000 0.00 0.00 O+0 HETATM 41 N UNK 0 22.793 -6.941 0.000 0.00 0.00 N+0 HETATM 42 C UNK 0 21.875 -8.177 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 20.638 -7.259 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 23.112 -9.095 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 20.957 -9.414 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 19.427 -9.237 0.000 0.00 0.00 O+0 HETATM 47 N UNK 0 21.569 -10.827 0.000 0.00 0.00 N+0 HETATM 48 C UNK 0 20.651 -12.064 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 19.121 -11.887 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 18.203 -13.123 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 16.674 -12.947 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 18.815 -14.537 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 21.263 -13.477 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 22.793 -13.653 0.000 0.00 0.00 O+0 HETATM 55 N UNK 0 20.345 -14.713 0.000 0.00 0.00 N+0 HETATM 56 C UNK 0 20.957 -16.126 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 22.487 -16.303 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 23.405 -15.067 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 23.740 -13.564 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 24.935 -15.243 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 20.039 -17.363 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 18.509 -17.186 0.000 0.00 0.00 O+0 HETATM 63 N UNK 0 20.651 -18.776 0.000 0.00 0.00 N+0 HETATM 64 C UNK 0 19.733 -20.013 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 18.497 -19.095 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 20.970 -20.931 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 18.815 -21.249 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 17.285 -21.073 0.000 0.00 0.00 O+0 HETATM 69 N UNK 0 19.427 -22.663 0.000 0.00 0.00 N+0 HETATM 70 C UNK 0 18.509 -23.899 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 17.273 -22.981 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 19.746 -24.817 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 17.591 -25.136 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 16.062 -24.959 0.000 0.00 0.00 O+0 HETATM 75 N UNK 0 18.203 -26.549 0.000 0.00 0.00 N+0 HETATM 76 C UNK 0 17.285 -27.785 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 17.897 -29.199 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 16.979 -30.435 0.000 0.00 0.00 C+0 HETATM 79 O UNK 0 15.450 -30.259 0.000 0.00 0.00 O+0 HETATM 80 N UNK 0 17.591 -31.848 0.000 0.00 0.00 N+0 HETATM 81 C UNK 0 16.674 -33.085 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 15.144 -32.908 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 17.285 -34.498 0.000 0.00 0.00 C+0 HETATM 84 N UNK 0 16.368 -35.735 0.000 0.00 0.00 N+0 HETATM 85 C UNK 0 16.979 -37.148 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 14.838 -35.558 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 14 CONECT 10 9 11 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 CONECT 14 13 9 15 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 CONECT 18 17 19 30 CONECT 19 18 20 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 CONECT 29 28 CONECT 30 18 31 32 CONECT 31 30 CONECT 32 30 33 CONECT 33 32 34 39 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 38 CONECT 37 36 CONECT 38 36 CONECT 39 33 40 41 CONECT 40 39 CONECT 41 39 42 CONECT 42 41 43 44 45 CONECT 43 42 CONECT 44 42 CONECT 45 42 46 47 CONECT 46 45 CONECT 47 45 48 CONECT 48 47 49 53 CONECT 49 48 50 CONECT 50 49 51 52 CONECT 51 50 CONECT 52 50 CONECT 53 48 54 55 CONECT 54 53 CONECT 55 53 56 CONECT 56 55 57 61 CONECT 57 56 58 CONECT 58 57 59 60 CONECT 59 58 CONECT 60 58 CONECT 61 56 62 63 CONECT 62 61 CONECT 63 61 64 CONECT 64 63 65 66 67 CONECT 65 64 CONECT 66 64 CONECT 67 64 68 69 CONECT 68 67 CONECT 69 67 70 CONECT 70 69 71 72 73 CONECT 71 70 CONECT 72 70 CONECT 73 70 74 75 CONECT 74 73 CONECT 75 73 76 CONECT 76 75 77 CONECT 77 76 78 CONECT 78 77 79 80 CONECT 79 78 CONECT 80 78 81 CONECT 81 80 82 83 CONECT 82 81 CONECT 83 81 84 CONECT 84 83 85 86 CONECT 85 84 CONECT 86 84 MASTER 0 0 0 0 0 0 0 0 86 0 172 0 END SMILES for NP0353301 (Leucinostatin A)CC[C@H](C)C=CC(=O)N1C[C@@H](C)C[C@H]1C(=O)N[C@@H](C[C@H](C)C[C@@H](O)CC(=O)CC)C(=O)N[C@@H]([C@H](O)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C INCHI for NP0353301 (Leucinostatin A)InChI=1S/C62H111N11O13/c1-21-38(9)23-24-49(77)73-33-40(11)31-47(73)55(82)66-46(30-39(10)29-43(75)32-42(74)22-2)53(80)68-50(51(78)37(7)8)56(83)70-61(15,16)58(85)67-44(27-35(3)4)52(79)65-45(28-36(5)6)54(81)69-62(17,18)59(86)71-60(13,14)57(84)63-26-25-48(76)64-41(12)34-72(19)20/h23-24,35-41,43-47,50-51,75,78H,21-22,25-34H2,1-20H3,(H,63,84)(H,64,76)(H,65,79)(H,66,82)(H,67,85)(H,68,80)(H,69,81)(H,70,83)(H,71,86)/t38-,39+,40-,41-,43+,44-,45-,46-,47-,50-,51+/m0/s1 3D Structure for NP0353301 (Leucinostatin A) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C62H111N11O13 | |||||||||||||||
| Average Mass | 1218.6340 Da | |||||||||||||||
| Monoisotopic Mass | 1217.83628 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CC[C@H](C)C=CC(=O)N1C[C@@H](C)C[C@H]1C(=O)N[C@@H](C[C@H](C)C[C@@H](O)CC(=O)CC)C(=O)N[C@@H]([C@H](O)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C | |||||||||||||||
| InChI Identifier | InChI=1S/C62H111N11O13/c1-21-38(9)23-24-49(77)73-33-40(11)31-47(73)55(82)66-46(30-39(10)29-43(75)32-42(74)22-2)53(80)68-50(51(78)37(7)8)56(83)70-61(15,16)58(85)67-44(27-35(3)4)52(79)65-45(28-36(5)6)54(81)69-62(17,18)59(86)71-60(13,14)57(84)63-26-25-48(76)64-41(12)34-72(19)20/h23-24,35-41,43-47,50-51,75,78H,21-22,25-34H2,1-20H3,(H,63,84)(H,64,76)(H,65,79)(H,66,82)(H,67,85)(H,68,80)(H,69,81)(H,70,83)(H,71,86)/t38-,39+,40-,41-,43+,44-,45-,46-,47-,50-,51+/m0/s1 | |||||||||||||||
| InChI Key | FOAIGCPESMNWQP-IVDCCMDASA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
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| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin |
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| 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 | ||||||||||||||||
