Showing NP-Card for N-furoyl-L-phenylalanyl-L-phenylalaninol acetate (NP0353766)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-25 07:51:55 UTC | |||||||||||||||
| Updated at | 2026-02-25 08:04:30 UTC | |||||||||||||||
| NP-MRD ID | NP0353766 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/8305 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | N-furoyl-L-phenylalanyl-L-phenylalaninol acetate | |||||||||||||||
| Description | N-furoyl-L-phenylalanyl-L-phenylalaninol acetate was first documented in 2023 (PMID: 36617869). | |||||||||||||||
| Structure |  MOL for NP0353766 (N-furoyl-L-phenylalanyl-L-phenylalaninol acetate)
Mrv2104 03262305032D
32 34 0 0 0 0 999 V2000
3.0598 -6.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5621 -7.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7825 -6.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7984 -5.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 -5.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3178 -4.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6680 -4.7941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9381 -4.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3980 -3.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6680 -2.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1279 -1.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3980 -1.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2081 -1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7482 -1.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4782 -2.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7482 -3.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2883 -4.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0182 -3.0791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8284 -2.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3685 -3.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0984 -4.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6385 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4486 -4.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3685 -5.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0984 -2.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9086 -1.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1786 -1.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9887 -1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5288 -1.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2588 -2.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4486 -2.6113 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
4 5 2 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
11 16 1 0 0 0 0
9 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
20 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
27 32 1 0 0 0 0
M END
3D SDF for NP0353766 (N-furoyl-L-phenylalanyl-L-phenylalaninol acetate)
Mrv2104 03262305032D
32 34 0 0 0 0 999 V2000
3.0598 -6.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5621 -7.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7825 -6.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7984 -5.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 -5.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3178 -4.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6680 -4.7941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9381 -4.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3980 -3.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6680 -2.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1279 -1.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3980 -1.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2081 -1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7482 -1.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4782 -2.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7482 -3.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2883 -4.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0182 -3.0791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8284 -2.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3685 -3.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0984 -4.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6385 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4486 -4.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3685 -5.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0984 -2.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9086 -1.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1786 -1.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9887 -1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5288 -1.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2588 -2.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4486 -2.6113 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
4 5 2 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
11 16 1 0 0 0 0
9 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
20 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
27 32 1 0 0 0 0
M END
> <DATABASE_ID>
NP0353766
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1=COC=C1
> <INCHI_IDENTIFIER>
InChI=1/C25H26N2O5/c1-18(28)32-17-22(14-19-8-4-2-5-9-19)26-25(30)23(15-20-10-6-3-7-11-20)27-24(29)21-12-13-31-16-21/h2-13,16,22-23H,14-15,17H2,1H3,(H,26,30)(H,27,29)
> <INCHI_KEY>
AWAXGTAQSDQKLX-UHFFFAOYNA-N
> <FORMULA>
C25H26N2O5
> <MOLECULAR_WEIGHT>
434.492
> <EXACT_MASS>
434.184171945
$$$$
PDB for NP0353766 (N-furoyl-L-phenylalanyl-L-phenylalaninol acetate)HEADER PROTEIN 26-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 26-MAR-23 0 HETATM 1 C UNK 0 5.712 -11.958 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 4.783 -13.186 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 3.327 -12.682 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 3.357 -11.143 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 4.831 -10.695 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 5.335 -9.240 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 4.327 -8.076 0.000 0.00 0.00 O+0 HETATM 8 N UNK 0 6.847 -8.949 0.000 0.00 0.00 N+0 HETATM 9 C UNK 0 7.351 -7.494 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 6.343 -6.330 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 6.847 -4.875 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 5.839 -3.710 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 6.343 -2.255 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 7.855 -1.964 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 8.863 -3.128 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 8.359 -4.583 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 8.863 -7.203 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 9.871 -8.367 0.000 0.00 0.00 O+0 HETATM 19 N UNK 0 9.367 -5.748 0.000 0.00 0.00 N+0 HETATM 20 C UNK 0 10.880 -5.457 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 11.888 -6.621 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 11.384 -8.076 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 12.392 -9.240 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 13.904 -8.949 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 11.888 -10.695 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 11.384 -4.001 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 12.896 -3.710 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 13.400 -2.255 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 14.912 -1.964 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 15.920 -3.128 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 15.416 -4.583 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 13.904 -4.875 0.000 0.00 0.00 C+0 CONECT 1 2 5 CONECT 2 1 3 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 1 6 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 CONECT 9 8 10 17 CONECT 10 9 11 CONECT 11 10 12 16 CONECT 12 11 13 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 11 CONECT 17 9 18 19 CONECT 18 17 CONECT 19 17 20 CONECT 20 19 21 26 CONECT 21 20 22 CONECT 22 21 23 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 CONECT 26 20 27 CONECT 27 26 28 32 CONECT 28 27 29 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 32 CONECT 32 31 27 MASTER 0 0 0 0 0 0 0 0 32 0 68 0 END SMILES for NP0353766 (N-furoyl-L-phenylalanyl-L-phenylalaninol acetate)CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1=COC=C1 INCHI for NP0353766 (N-furoyl-L-phenylalanyl-L-phenylalaninol acetate)InChI=1/C25H26N2O5/c1-18(28)32-17-22(14-19-8-4-2-5-9-19)26-25(30)23(15-20-10-6-3-7-11-20)27-24(29)21-12-13-31-16-21/h2-13,16,22-23H,14-15,17H2,1H3,(H,26,30)(H,27,29) 3D Structure for NP0353766 (N-furoyl-L-phenylalanyl-L-phenylalaninol acetate) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C25H26N2O5 | |||||||||||||||
| Average Mass | 434.4920 Da | |||||||||||||||
| Monoisotopic Mass | 434.18417 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1=COC=C1 | |||||||||||||||
| InChI Identifier | InChI=1/C25H26N2O5/c1-18(28)32-17-22(14-19-8-4-2-5-9-19)26-25(30)23(15-20-10-6-3-7-11-20)27-24(29)21-12-13-31-16-21/h2-13,16,22-23H,14-15,17H2,1H3,(H,26,30)(H,27,29) | |||||||||||||||
| InChI Key | AWAXGTAQSDQKLX-UHFFFAOYNA-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 | ||||||||||||||||
