Showing NP-Card for Kurstakin 6 (NP0351778)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2025-11-05 05:19:16 UTC | |||||||||||||||
| Updated at | 2025-11-06 01:01:05 UTC | |||||||||||||||
| NP-MRD ID | NP0351778 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/4848 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Kurstakin 6 | |||||||||||||||
| Description | Not Available | |||||||||||||||
| Structure |  MOL for NP0351778 (Kurstakin 6)
Mrv2104 05112322312D
65 65 0 0 1 0 999 V2000
18.0388 3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.3243 3.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
16.6099 3.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.3243 4.3798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
16.6099 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8954 4.3798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.1809 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4664 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7520 4.7923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0375 4.3798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.3230 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6086 4.3798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8941 4.7923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.1796 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 4.7923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7507 4.3798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7507 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0362 3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9500 2.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1430 2.1503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7305 2.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2825 3.4778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0362 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3217 4.3798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6073 4.7923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6073 5.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8928 6.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8928 6.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6073 7.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1783 7.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8928 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1783 4.7923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4638 4.3798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7494 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0349 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3204 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6060 4.3798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3204 5.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4638 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7494 3.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1783 3.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8928 3.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0362 5.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1796 3.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8941 5.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1796 6.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3230 5.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0375 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4664 3.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6099 5.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.0388 4.7923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
18.7533 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4677 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1822 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8967 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6112 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3256 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.0401 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.7546 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.4690 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.1835 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.8980 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.6124 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.8980 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.7533 3.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 1 1 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
10 9 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
13 12 1 6 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
18 22 1 0 0 0 0
16 23 1 0 0 0 0
23 24 1 0 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 2 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
33 32 1 6 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 2 0 0 0 0
33 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 2 0 0 0 0
31 42 2 0 0 0 0
23 43 2 0 0 0 0
14 44 2 0 0 0 0
13 45 1 0 0 0 0
45 46 1 0 0 0 0
11 47 2 0 0 0 0
10 48 1 1 0 0 0
8 49 2 0 0 0 0
5 50 2 0 0 0 0
4 51 1 6 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 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
62 64 1 0 0 0 0
52 65 2 0 0 0 0
M END
3D SDF for NP0351778 (Kurstakin 6)
Mrv2104 05112322312D
65 65 0 0 1 0 999 V2000
18.0388 3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.3243 3.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
16.6099 3.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.3243 4.3798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
16.6099 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8954 4.3798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.1809 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4664 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7520 4.7923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0375 4.3798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.3230 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6086 4.3798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8941 4.7923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.1796 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 4.7923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7507 4.3798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7507 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0362 3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9500 2.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1430 2.1503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7305 2.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2825 3.4778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0362 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3217 4.3798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6073 4.7923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6073 5.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8928 6.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8928 6.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6073 7.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1783 7.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8928 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1783 4.7923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4638 4.3798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7494 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0349 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3204 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6060 4.3798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3204 5.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4638 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7494 3.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1783 3.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8928 3.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0362 5.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1796 3.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8941 5.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1796 6.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3230 5.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0375 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4664 3.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6099 5.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.0388 4.7923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
18.7533 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4677 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1822 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8967 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6112 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3256 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.0401 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.7546 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.4690 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.1835 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.8980 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.6124 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.8980 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.7533 3.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 1 1 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
10 9 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
13 12 1 6 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
18 22 1 0 0 0 0
16 23 1 0 0 0 0
23 24 1 0 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 2 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
33 32 1 6 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 2 0 0 0 0
33 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 2 0 0 0 0
31 42 2 0 0 0 0
23 43 2 0 0 0 0
14 44 2 0 0 0 0
13 45 1 0 0 0 0
45 46 1 0 0 0 0
11 47 2 0 0 0 0
10 48 1 1 0 0 0
8 49 2 0 0 0 0
5 50 2 0 0 0 0
4 51 1 6 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 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
62 64 1 0 0 0 0
52 65 2 0 0 0 0
M END
> <DATABASE_ID>
NP0351778
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CC(C)CCCCCCCCCC(=O)N[C@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
> <INCHI_IDENTIFIER>
InChI=1S/C41H69N11O13/c1-23(2)12-10-8-6-5-7-9-11-13-33(57)52-35(25(4)54)40(63)45-20-34(58)47-24(3)36(59)51-30(21-53)39(62)50-29(18-26-19-44-22-46-26)38(61)48-27(14-16-31(42)55)37(60)49-28(41(64)65)15-17-32(43)56/h19,22-25,27-30,35,53-54H,5-18,20-21H2,1-4H3,(H2,42,55)(H2,43,56)(H,44,46)(H,45,63)(H,47,58)(H,48,61)(H,49,60)(H,50,62)(H,51,59)(H,52,57)(H,64,65)/t24-,25+,27+,28-,29-,30-,35+/m0/s1
> <INCHI_KEY>
IIJBAADKCBNYNN-SFCFLHBRSA-N
> <FORMULA>
C41H69N11O13
> <MOLECULAR_WEIGHT>
924.067
> <EXACT_MASS>
923.507631326
$$$$
PDB for NP0351778 (Kurstakin 6)HEADER PROTEIN 11-MAY-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 11-MAY-23 0 HETATM 1 C UNK 0 33.672 5.866 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 32.339 6.636 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 31.005 5.866 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 32.339 8.176 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 31.005 8.946 0.000 0.00 0.00 C+0 HETATM 6 N UNK 0 29.671 8.176 0.000 0.00 0.00 N+0 HETATM 7 C UNK 0 28.338 8.946 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 27.004 8.176 0.000 0.00 0.00 C+0 HETATM 9 N UNK 0 25.670 8.946 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 24.337 8.176 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 23.003 8.946 0.000 0.00 0.00 C+0 HETATM 12 N UNK 0 21.669 8.176 0.000 0.00 0.00 N+0 HETATM 13 C UNK 0 20.336 8.946 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 19.002 8.176 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 17.668 8.946 0.000 0.00 0.00 N+0 HETATM 16 C UNK 0 16.335 8.176 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 16.335 6.636 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 15.001 5.866 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 14.840 4.334 0.000 0.00 0.00 C+0 HETATM 20 N UNK 0 13.334 4.014 0.000 0.00 0.00 N+0 HETATM 21 C UNK 0 12.564 5.348 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 13.594 6.492 0.000 0.00 0.00 N+0 HETATM 23 C UNK 0 15.001 8.946 0.000 0.00 0.00 C+0 HETATM 24 N UNK 0 13.667 8.176 0.000 0.00 0.00 N+0 HETATM 25 C UNK 0 12.334 8.946 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 12.334 10.486 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 11.000 11.256 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 11.000 12.796 0.000 0.00 0.00 C+0 HETATM 29 N UNK 0 12.334 13.566 0.000 0.00 0.00 N+0 HETATM 30 O UNK 0 9.666 13.566 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 11.000 8.176 0.000 0.00 0.00 C+0 HETATM 32 N UNK 0 9.666 8.946 0.000 0.00 0.00 N+0 HETATM 33 C UNK 0 8.333 8.176 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 6.999 8.946 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 5.665 8.176 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 4.331 8.946 0.000 0.00 0.00 C+0 HETATM 37 N UNK 0 2.998 8.176 0.000 0.00 0.00 N+0 HETATM 38 O UNK 0 4.331 10.486 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 8.333 6.636 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 6.999 5.866 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 9.666 5.866 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 11.000 6.636 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 15.001 10.486 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 19.002 6.636 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 20.336 10.486 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 19.002 11.256 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 23.003 10.486 0.000 0.00 0.00 O+0 HETATM 48 C UNK 0 24.337 6.636 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 27.004 6.636 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 31.005 10.486 0.000 0.00 0.00 O+0 HETATM 51 N UNK 0 33.672 8.946 0.000 0.00 0.00 N+0 HETATM 52 C UNK 0 35.006 8.176 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 36.340 8.946 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 37.673 8.176 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 39.007 8.946 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 40.341 8.176 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 41.674 8.946 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 43.008 8.176 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 44.342 8.946 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 45.676 8.176 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 47.009 8.946 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 48.343 8.176 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 49.677 8.946 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 48.343 6.636 0.000 0.00 0.00 C+0 HETATM 65 O UNK 0 35.006 6.636 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 51 CONECT 5 4 6 50 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 9 49 CONECT 9 8 10 CONECT 10 9 11 48 CONECT 11 10 12 47 CONECT 12 11 13 CONECT 13 12 14 45 CONECT 14 13 15 44 CONECT 15 14 16 CONECT 16 15 17 23 CONECT 17 16 18 CONECT 18 17 19 22 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 18 CONECT 23 16 24 43 CONECT 24 23 25 CONECT 25 24 26 31 CONECT 26 25 27 CONECT 27 26 28 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 CONECT 31 25 32 42 CONECT 32 31 33 CONECT 33 32 34 39 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 CONECT 39 33 40 41 CONECT 40 39 CONECT 41 39 CONECT 42 31 CONECT 43 23 CONECT 44 14 CONECT 45 13 46 CONECT 46 45 CONECT 47 11 CONECT 48 10 CONECT 49 8 CONECT 50 5 CONECT 51 4 52 CONECT 52 51 53 65 CONECT 53 52 54 CONECT 54 53 55 CONECT 55 54 56 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 59 CONECT 59 58 60 CONECT 60 59 61 CONECT 61 60 62 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 CONECT 65 52 MASTER 0 0 0 0 0 0 0 0 65 0 130 0 END SMILES for NP0351778 (Kurstakin 6)CC(C)CCCCCCCCCC(=O)N[C@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O INCHI for NP0351778 (Kurstakin 6)InChI=1S/C41H69N11O13/c1-23(2)12-10-8-6-5-7-9-11-13-33(57)52-35(25(4)54)40(63)45-20-34(58)47-24(3)36(59)51-30(21-53)39(62)50-29(18-26-19-44-22-46-26)38(61)48-27(14-16-31(42)55)37(60)49-28(41(64)65)15-17-32(43)56/h19,22-25,27-30,35,53-54H,5-18,20-21H2,1-4H3,(H2,42,55)(H2,43,56)(H,44,46)(H,45,63)(H,47,58)(H,48,61)(H,49,60)(H,50,62)(H,51,59)(H,52,57)(H,64,65)/t24-,25+,27+,28-,29-,30-,35+/m0/s1 3D Structure for NP0351778 (Kurstakin 6) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C41H69N11O13 | |||||||||||||||
| Average Mass | 924.0670 Da | |||||||||||||||
| Monoisotopic Mass | 923.50763 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CC(C)CCCCCCCCCC(=O)N[C@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O | |||||||||||||||
| InChI Identifier | InChI=1S/C41H69N11O13/c1-23(2)12-10-8-6-5-7-9-11-13-33(57)52-35(25(4)54)40(63)45-20-34(58)47-24(3)36(59)51-30(21-53)39(62)50-29(18-26-19-44-22-46-26)38(61)48-27(14-16-31(42)55)37(60)49-28(41(64)65)15-17-32(43)56/h19,22-25,27-30,35,53-54H,5-18,20-21H2,1-4H3,(H2,42,55)(H2,43,56)(H,44,46)(H,45,63)(H,47,58)(H,48,61)(H,49,60)(H,50,62)(H,51,59)(H,52,57)(H,64,65)/t24-,25+,27+,28-,29-,30-,35+/m0/s1 | |||||||||||||||
| InChI Key | IIJBAADKCBNYNN-SFCFLHBRSA-N | |||||||||||||||
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| Predicted Spectra | ||||||||||||||||
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| Classification | Not classified | |||||||||||||||
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| State | Not Available | |||||||||||||||
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| External Links | ||||||||||||||||
| External Links | Not Available | |||||||||||||||
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