Showing NP-Card for Grassystatin G (NP0352019)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2025-12-16 01:55:26 UTC | |||||||||||||||
| Updated at | 2025-12-17 01:00:33 UTC | |||||||||||||||
| NP-MRD ID | NP0352019 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/5092 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Grassystatin G | |||||||||||||||
| Description | Grassystatin G was first documented in 2025 (PMID: 40291136). | |||||||||||||||
| Structure |  MOL for NP0352019 (Grassystatin G)
Mrv2104 01132323132D
56 57 0 0 1 0 999 V2000
5.7158 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -11.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0013 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 -11.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8592 -11.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.8592 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5737 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2881 -11.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2881 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0026 -11.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.0026 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7171 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4315 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7171 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7171 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4315 -11.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1460 -11.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.1460 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8605 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8605 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5749 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8605 -11.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.8605 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.5749 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2894 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0039 -11.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.0039 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7184 -11.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
15.7184 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4328 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1473 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8618 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8618 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1473 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4328 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4328 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4328 -10.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.1003 -9.8276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
17.8849 -10.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4980 -9.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.2826 -9.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0564 -10.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.8453 -9.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0203 -9.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7654 -9.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1473 -11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2894 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7171 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5737 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9453 -10.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
2 6 1 0 0 0 0
6 7 1 0 0 0 0
8 7 1 1 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
8 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
18 19 1 0 0 0 0
18 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
23 28 1 0 0 0 0
28 29 1 6 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
34 32 1 6 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
36 41 1 0 0 0 0
34 42 1 0 0 0 0
42 43 1 0 0 0 0
44 43 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
45 48 2 0 0 0 0
44 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
43 51 1 0 0 0 0
42 52 2 0 0 0 0
31 53 2 0 0 0 0
21 54 2 0 0 0 0
13 55 2 0 0 0 0
6 56 2 0 0 0 0
M END
3D SDF for NP0352019 (Grassystatin G)
Mrv2104 01132323132D
56 57 0 0 1 0 999 V2000
5.7158 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -11.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0013 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 -11.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8592 -11.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.8592 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5737 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2881 -11.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2881 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0026 -11.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.0026 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7171 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4315 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7171 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7171 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4315 -11.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1460 -11.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.1460 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8605 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8605 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5749 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8605 -11.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.8605 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.5749 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2894 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0039 -11.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.0039 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7184 -11.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
15.7184 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4328 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1473 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8618 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8618 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1473 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4328 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4328 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4328 -10.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.1003 -9.8276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
17.8849 -10.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4980 -9.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.2826 -9.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0564 -10.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.8453 -9.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0203 -9.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7654 -9.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1473 -11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2894 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7171 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5737 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9453 -10.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
2 6 1 0 0 0 0
6 7 1 0 0 0 0
8 7 1 1 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
8 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
18 19 1 0 0 0 0
18 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
23 28 1 0 0 0 0
28 29 1 6 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
34 32 1 6 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
36 41 1 0 0 0 0
34 42 1 0 0 0 0
42 43 1 0 0 0 0
44 43 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
45 48 2 0 0 0 0
44 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
43 51 1 0 0 0 0
42 52 2 0 0 0 0
31 53 2 0 0 0 0
21 54 2 0 0 0 0
13 55 2 0 0 0 0
6 56 2 0 0 0 0
M END
> <DATABASE_ID>
NP0352019
> <DATABASE_NAME>
NP-MRD
> <SMILES>
COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](O)C(C)C
> <INCHI_IDENTIFIER>
InChI=1S/C42H69N5O9/c1-25(2)20-30(43-38(51)33(22-27(5)6)46(10)40(53)31(21-26(3)4)44-39(52)37(50)28(7)8)35(48)24-36(49)45(9)34(23-29-16-13-12-14-17-29)41(54)47-19-15-18-32(47)42(55)56-11/h12-14,16-17,25-28,30-35,37,48,50H,15,18-24H2,1-11H3,(H,43,51)(H,44,52)/t30-,31-,32-,33-,34-,35-,37+/m0/s1
> <INCHI_KEY>
CDSXFIILSSKCMV-NASFLFBESA-N
> <FORMULA>
C42H69N5O9
> <MOLECULAR_WEIGHT>
788.04
> <EXACT_MASS>
787.509528822
$$$$
PDB for NP0352019 (Grassystatin G)HEADER PROTEIN 13-JAN-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 13-JAN-23 0 HETATM 1 O UNK 0 10.669 -23.100 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 10.669 -21.560 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 9.336 -20.790 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 8.002 -21.560 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 9.336 -19.250 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 12.003 -20.790 0.000 0.00 0.00 C+0 HETATM 7 N UNK 0 13.337 -21.560 0.000 0.00 0.00 N+0 HETATM 8 C UNK 0 14.670 -20.790 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 14.670 -19.250 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 13.337 -18.480 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 12.003 -19.250 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 13.337 -16.940 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 16.004 -21.560 0.000 0.00 0.00 C+0 HETATM 14 N UNK 0 17.338 -20.790 0.000 0.00 0.00 N+0 HETATM 15 C UNK 0 17.338 -19.250 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 18.672 -21.560 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 18.672 -23.100 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 20.005 -23.870 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 21.339 -23.100 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 20.005 -25.410 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 20.005 -20.790 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 21.339 -21.560 0.000 0.00 0.00 N+0 HETATM 23 C UNK 0 22.673 -20.790 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 22.673 -19.250 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 24.006 -18.480 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 24.006 -16.940 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 25.340 -19.250 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 24.006 -21.560 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 24.006 -23.100 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 25.340 -20.790 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 26.674 -21.560 0.000 0.00 0.00 C+0 HETATM 32 N UNK 0 28.007 -20.790 0.000 0.00 0.00 N+0 HETATM 33 C UNK 0 28.007 -19.250 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 29.341 -21.560 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 29.341 -23.100 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 30.675 -23.870 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 32.008 -23.100 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 33.342 -23.870 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 33.342 -25.410 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 32.008 -26.180 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 30.675 -25.410 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 30.675 -20.790 0.000 0.00 0.00 C+0 HETATM 43 N UNK 0 30.675 -19.250 0.000 0.00 0.00 N+0 HETATM 44 C UNK 0 31.921 -18.345 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 33.385 -18.821 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 34.530 -17.790 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 35.994 -18.266 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 33.705 -20.327 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 31.445 -16.880 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 29.905 -16.880 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 29.429 -18.345 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 32.008 -21.560 0.000 0.00 0.00 O+0 HETATM 53 O UNK 0 26.674 -23.100 0.000 0.00 0.00 O+0 HETATM 54 O UNK 0 20.005 -19.250 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 16.004 -23.100 0.000 0.00 0.00 O+0 HETATM 56 O UNK 0 11.098 -19.544 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 6 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 CONECT 6 2 7 56 CONECT 7 6 8 CONECT 8 7 9 13 CONECT 9 8 10 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 CONECT 13 8 14 55 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 21 CONECT 17 16 18 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 CONECT 21 16 22 54 CONECT 22 21 23 CONECT 23 22 24 28 CONECT 24 23 25 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 CONECT 28 23 29 30 CONECT 29 28 CONECT 30 28 31 CONECT 31 30 32 53 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 42 CONECT 35 34 36 CONECT 36 35 37 41 CONECT 37 36 38 CONECT 38 37 39 CONECT 39 38 40 CONECT 40 39 41 CONECT 41 40 36 CONECT 42 34 43 52 CONECT 43 42 44 51 CONECT 44 43 45 49 CONECT 45 44 46 48 CONECT 46 45 47 CONECT 47 46 CONECT 48 45 CONECT 49 44 50 CONECT 50 49 51 CONECT 51 50 43 CONECT 52 42 CONECT 53 31 CONECT 54 21 CONECT 55 13 CONECT 56 6 MASTER 0 0 0 0 0 0 0 0 56 0 114 0 END SMILES for NP0352019 (Grassystatin G)COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](O)C(C)C INCHI for NP0352019 (Grassystatin G)InChI=1S/C42H69N5O9/c1-25(2)20-30(43-38(51)33(22-27(5)6)46(10)40(53)31(21-26(3)4)44-39(52)37(50)28(7)8)35(48)24-36(49)45(9)34(23-29-16-13-12-14-17-29)41(54)47-19-15-18-32(47)42(55)56-11/h12-14,16-17,25-28,30-35,37,48,50H,15,18-24H2,1-11H3,(H,43,51)(H,44,52)/t30-,31-,32-,33-,34-,35-,37+/m0/s1 3D Structure for NP0352019 (Grassystatin G) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C42H69N5O9 | |||||||||||||||
| Average Mass | 788.0400 Da | |||||||||||||||
| Monoisotopic Mass | 787.50953 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](O)C(C)C | |||||||||||||||
| InChI Identifier | InChI=1S/C42H69N5O9/c1-25(2)20-30(43-38(51)33(22-27(5)6)46(10)40(53)31(21-26(3)4)44-39(52)37(50)28(7)8)35(48)24-36(49)45(9)34(23-29-16-13-12-14-17-29)41(54)47-19-15-18-32(47)42(55)56-11/h12-14,16-17,25-28,30-35,37,48,50H,15,18-24H2,1-11H3,(H,43,51)(H,44,52)/t30-,31-,32-,33-,34-,35-,37+/m0/s1 | |||||||||||||||
| InChI Key | CDSXFIILSSKCMV-NASFLFBESA-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 | ||||||||||||||||
