Showing NP-Card for Hydanto-oscillamide Y (NP0354134)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-06-17 19:18:55 UTC | |||||||||||||||
| Updated at | 2026-06-18 01:00:48 UTC | |||||||||||||||
| NP-MRD ID | NP0354134 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/8703 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Hydanto-oscillamide Y | |||||||||||||||
| Description | Hydanto-oscillamide Y was first documented in 2023 (PMID: 37504933). | |||||||||||||||
| Structure |  MOL for NP0354134 (Hydanto-oscillamide Y)
Mrv2104 01062318242D
61 65 0 0 1 0 999 V2000
8.4419 7.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5532 8.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3602 8.2322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7727 7.5177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5931 7.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0781 8.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7425 8.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2274 9.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0479 9.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3835 8.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8985 8.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2206 6.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1814 6.0027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4669 5.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4669 4.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7525 4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7525 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0380 3.1152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0380 2.2902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7054 1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4505 1.0206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6255 1.0206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1406 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4761 -0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2966 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6322 -1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1473 -1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4828 -2.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3268 -1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9912 -1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3706 1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5859 2.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4901 2.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3235 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3235 4.3527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6091 4.7652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8946 4.3527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1801 4.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1801 5.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6091 3.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3979 6.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7525 8.4777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.7346 9.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0380 8.0652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3235 8.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0380 7.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3235 6.8277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6091 7.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6091 8.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 8.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1801 8.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4656 8.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4656 9.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7512 9.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1801 9.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 9.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3235 6.0027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6091 5.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 6.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7525 6.8277 0.0000 O 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
4 3 1 0 0 0 0
4 5 1 1 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
6 11 1 0 0 0 0
4 12 1 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
18 17 1 0 0 0 0
18 19 1 1 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
22 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
29 30 2 0 0 0 0
24 30 1 0 0 0 0
22 31 1 0 0 0 0
19 31 1 0 0 0 0
31 32 2 0 0 0 0
20 33 2 0 0 0 0
18 34 1 0 0 0 0
34 35 1 0 0 0 0
36 35 1 0 0 0 0
36 37 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
37 40 1 6 0 0 0
34 41 2 0 0 0 0
12 42 2 0 0 0 0
43 2 1 0 0 0 0
43 44 1 1 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
48 47 1 0 0 0 0
48 49 1 1 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
54 55 1 0 0 0 0
54 56 1 0 0 0 0
56 57 2 0 0 0 0
51 57 1 0 0 0 0
48 58 1 0 0 0 0
58 59 1 0 0 0 0
36 59 1 0 0 0 0
59 60 2 0 0 0 0
47 61 2 0 0 0 0
M END
3D SDF for NP0354134 (Hydanto-oscillamide Y)
Mrv2104 01062318242D
61 65 0 0 1 0 999 V2000
8.4419 7.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5532 8.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3602 8.2322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7727 7.5177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5931 7.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0781 8.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7425 8.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2274 9.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0479 9.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3835 8.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8985 8.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2206 6.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1814 6.0027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4669 5.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4669 4.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7525 4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7525 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0380 3.1152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0380 2.2902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7054 1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4505 1.0206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6255 1.0206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1406 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4761 -0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2966 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6322 -1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1473 -1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4828 -2.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3268 -1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9912 -1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3706 1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5859 2.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4901 2.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3235 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3235 4.3527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6091 4.7652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8946 4.3527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1801 4.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1801 5.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6091 3.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3979 6.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7525 8.4777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.7346 9.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0380 8.0652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3235 8.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0380 7.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3235 6.8277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6091 7.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6091 8.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 8.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1801 8.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4656 8.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4656 9.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7512 9.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1801 9.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 9.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3235 6.0027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6091 5.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 6.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7525 6.8277 0.0000 O 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
4 3 1 0 0 0 0
4 5 1 1 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
6 11 1 0 0 0 0
4 12 1 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
18 17 1 0 0 0 0
18 19 1 1 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
22 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
29 30 2 0 0 0 0
24 30 1 0 0 0 0
22 31 1 0 0 0 0
19 31 1 0 0 0 0
31 32 2 0 0 0 0
20 33 2 0 0 0 0
18 34 1 0 0 0 0
34 35 1 0 0 0 0
36 35 1 0 0 0 0
36 37 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
37 40 1 6 0 0 0
34 41 2 0 0 0 0
12 42 2 0 0 0 0
43 2 1 0 0 0 0
43 44 1 1 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
48 47 1 0 0 0 0
48 49 1 1 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
54 55 1 0 0 0 0
54 56 1 0 0 0 0
56 57 2 0 0 0 0
51 57 1 0 0 0 0
48 58 1 0 0 0 0
58 59 1 0 0 0 0
36 59 1 0 0 0 0
59 60 2 0 0 0 0
47 61 2 0 0 0 0
M END
> <DATABASE_ID>
NP0354134
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC2=CC=C(O)C=C2)NC1=O)N1C(=O)N[C@@H](CC2=CC=C(O)C=C2)C1=O
> <INCHI_IDENTIFIER>
InChI=1S/C45H57N7O9/c1-5-27(2)38-42(58)47-34(23-18-29-14-19-32(53)20-15-29)43(59)51(4)28(3)39(55)48-35(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-37(41(57)50-38)52-44(60)36(49-45(52)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,49,61)(H,50,57)/t27-,28+,34+,35+,36+,37-,38+/m1/s1
> <INCHI_KEY>
NENXWMIZFXXNEY-BCHBNJEXSA-N
> <FORMULA>
C45H57N7O9
> <MOLECULAR_WEIGHT>
839.991
> <EXACT_MASS>
839.421776443
$$$$
PDB for NP0354134 (Hydanto-oscillamide Y)HEADER PROTEIN 06-JAN-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 06-JAN-23 0 HETATM 1 O UNK 0 15.758 13.521 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 15.966 15.047 0.000 0.00 0.00 C+0 HETATM 3 N UNK 0 17.472 15.367 0.000 0.00 0.00 N+0 HETATM 4 C UNK 0 18.242 14.033 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 19.774 13.872 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 20.679 15.118 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 20.053 16.525 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 20.958 17.771 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 22.489 17.610 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 23.116 16.203 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 22.211 14.957 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 17.212 12.889 0.000 0.00 0.00 C+0 HETATM 13 N UNK 0 17.139 11.205 0.000 0.00 0.00 N+0 HETATM 14 C UNK 0 15.805 10.435 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 15.805 8.895 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 14.471 8.125 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 14.471 6.585 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 13.138 5.815 0.000 0.00 0.00 C+0 HETATM 19 N UNK 0 13.138 4.275 0.000 0.00 0.00 N+0 HETATM 20 C UNK 0 14.383 3.370 0.000 0.00 0.00 C+0 HETATM 21 N UNK 0 13.908 1.905 0.000 0.00 0.00 N+0 HETATM 22 C UNK 0 12.368 1.905 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 11.462 0.659 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 12.089 -0.748 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 13.620 -0.909 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 14.247 -2.315 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 13.342 -3.561 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 13.968 -4.968 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 11.810 -3.400 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 11.184 -1.993 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 11.892 3.370 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 10.427 3.846 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 15.848 3.846 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 11.804 6.585 0.000 0.00 0.00 C+0 HETATM 35 N UNK 0 11.804 8.125 0.000 0.00 0.00 N+0 HETATM 36 C UNK 0 10.470 8.895 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 9.137 8.125 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 7.803 8.895 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 7.803 10.435 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 9.137 6.585 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 10.470 5.815 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 15.676 13.003 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 14.471 15.825 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 14.438 17.365 0.000 0.00 0.00 C+0 HETATM 45 N UNK 0 13.138 15.055 0.000 0.00 0.00 N+0 HETATM 46 C UNK 0 11.804 15.825 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 13.138 13.515 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 11.804 12.745 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 10.470 13.515 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 10.470 15.055 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 9.137 15.825 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 7.803 15.055 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 6.469 15.825 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 6.469 17.365 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 5.136 18.135 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 7.803 18.135 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 9.137 17.365 0.000 0.00 0.00 C+0 HETATM 58 N UNK 0 11.804 11.205 0.000 0.00 0.00 N+0 HETATM 59 C UNK 0 10.470 10.435 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 9.137 11.205 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 14.471 12.745 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 43 CONECT 3 2 4 CONECT 4 3 5 12 CONECT 5 4 6 CONECT 6 5 7 11 CONECT 7 6 8 CONECT 8 7 9 CONECT 9 8 10 CONECT 10 9 11 CONECT 11 10 6 CONECT 12 4 13 42 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 18 CONECT 18 17 19 34 CONECT 19 18 20 31 CONECT 20 19 21 33 CONECT 21 20 22 CONECT 22 21 23 31 CONECT 23 22 24 CONECT 24 23 25 30 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 CONECT 30 29 24 CONECT 31 22 19 32 CONECT 32 31 CONECT 33 20 CONECT 34 18 35 41 CONECT 35 34 36 CONECT 36 35 37 59 CONECT 37 36 38 40 CONECT 38 37 39 CONECT 39 38 CONECT 40 37 CONECT 41 34 CONECT 42 12 CONECT 43 2 44 45 CONECT 44 43 CONECT 45 43 46 47 CONECT 46 45 CONECT 47 45 48 61 CONECT 48 47 49 58 CONECT 49 48 50 CONECT 50 49 51 CONECT 51 50 52 57 CONECT 52 51 53 CONECT 53 52 54 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 57 CONECT 57 56 51 CONECT 58 48 59 CONECT 59 58 36 60 CONECT 60 59 CONECT 61 47 MASTER 0 0 0 0 0 0 0 0 61 0 130 0 END SMILES for NP0354134 (Hydanto-oscillamide Y)CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC2=CC=C(O)C=C2)NC1=O)N1C(=O)N[C@@H](CC2=CC=C(O)C=C2)C1=O INCHI for NP0354134 (Hydanto-oscillamide Y)InChI=1S/C45H57N7O9/c1-5-27(2)38-42(58)47-34(23-18-29-14-19-32(53)20-15-29)43(59)51(4)28(3)39(55)48-35(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-37(41(57)50-38)52-44(60)36(49-45(52)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,49,61)(H,50,57)/t27-,28+,34+,35+,36+,37-,38+/m1/s1 3D Structure for NP0354134 (Hydanto-oscillamide Y) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C45H57N7O9 | |||||||||||||||
| Average Mass | 839.9910 Da | |||||||||||||||
| Monoisotopic Mass | 839.42178 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC2=CC=C(O)C=C2)NC1=O)N1C(=O)N[C@@H](CC2=CC=C(O)C=C2)C1=O | |||||||||||||||
| InChI Identifier | InChI=1S/C45H57N7O9/c1-5-27(2)38-42(58)47-34(23-18-29-14-19-32(53)20-15-29)43(59)51(4)28(3)39(55)48-35(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-37(41(57)50-38)52-44(60)36(49-45(52)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,49,61)(H,50,57)/t27-,28+,34+,35+,36+,37-,38+/m1/s1 | |||||||||||||||
| InChI Key | NENXWMIZFXXNEY-BCHBNJEXSA-N | |||||||||||||||
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| Classification | Not classified | |||||||||||||||
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| State | Not Available | |||||||||||||||
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| External Links | Not Available | |||||||||||||||
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