NP-MRD: Showing NP-Card for 2-({1-hydroxy-2-[(2r)-2-hydroxy-n-methyl-3-phenylpropanamido]ethylidene}amino)-n-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid (NP0318452)

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Record Information

Version

1.0

Created at

2022-09-11 18:57:38 UTC

Updated at

2022-09-11 18:57:38 UTC

NP-MRD ID

NP0318452

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-({1-hydroxy-2-[(2r)-2-hydroxy-n-methyl-3-phenylpropanamido]ethylidene}amino)-n-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid

Description

Seco-clavatustide B belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. It was first documented in 2022 (PMID: 36127088). Based on a literature review a significant number of articles have been published on Seco-clavatustide B (PMID: 36127040) (PMID: 36126754) (PMID: 36127058) (PMID: 36127070) (PMID: 36127054) (PMID: 36127071).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112220572D          

 36 38  0  0  1  0            999 V2000
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 31 36  1  0  0  0  0
M  END

     RDKit          3D

 63 65  0  0  0  0  0  0  0  0999 V2000
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   -3.2922   -4.1028   -0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0072   -3.5214    0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3741   -2.2237    0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5815    1.0722   -3.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
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 19 14  1  0
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  1 37  1  0
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M  END


  Mrv1652309112220572D          

 36 38  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
NP0318452

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=CC=CC=C1N=C(O)C1=CC=CC=C1N=C(O)CN(C)C(=O)[C@H](O)CC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C27H27N3O6/c1-30(26(34)23(31)16-18-10-4-3-5-11-18)17-24(32)28-21-14-8-6-12-19(21)25(33)29-22-15-9-7-13-20(22)27(35)36-2/h3-15,23,31H,16-17H2,1-2H3,(H,28,32)(H,29,33)/t23-/m1/s1

> <INCHI_KEY>
RXLNSJFXNXSUPN-HSZRJFAPSA-N

> <FORMULA>
C27H27N3O6

> <MOLECULAR_WEIGHT>
489.528

> <EXACT_MASS>
489.189985601

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
52.22940282987489

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({1-hydroxy-2-[(2R)-2-hydroxy-N-methyl-3-phenylpropanamido]ethylidene}amino)-N-[2-(methoxycarbonyl)phenyl]benzene-1-carboximidic acid

> <JCHEM_LOGP>
4.2874666836666675

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
5.267053347610466

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.8428565481002273

> <JCHEM_PKA_STRONGEST_BASIC>
-0.049961517648868914

> <JCHEM_POLAR_SURFACE_AREA>
132.01999999999998

> <JCHEM_REFRACTIVITY>
138.50530000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-({1-hydroxy-2-[(2R)-2-hydroxy-N-methyl-3-phenylpropanamido]ethylidene}amino)-N-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       0.000  -4.620   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       1.334  -6.930   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0       5.335  -7.700   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.669  -9.240   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   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    5   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   14   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   31                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₂₇N₃O₆

Average Mass

489.5280 Da

Monoisotopic Mass

489.18999 Da

IUPAC Name

2-({1-hydroxy-2-[(2R)-2-hydroxy-N-methyl-3-phenylpropanamido]ethylidene}amino)-N-[2-(methoxycarbonyl)phenyl]benzene-1-carboximidic acid

Traditional Name

2-({1-hydroxy-2-[(2R)-2-hydroxy-N-methyl-3-phenylpropanamido]ethylidene}amino)-N-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid

CAS Registry Number

Not Available

SMILES

COC(=O)C1=CC=CC=C1N=C(O)C1=CC=CC=C1N=C(O)CN(C)C(=O)[C@H](O)CC1=CC=CC=C1

InChI Identifier

InChI=1S/C27H27N3O6/c1-30(26(34)23(31)16-18-10-4-3-5-11-18)17-24(32)28-21-14-8-6-12-19(21)25(33)29-22-15-9-7-13-20(22)27(35)36-2/h3-15,23,31H,16-17H2,1-2H3,(H,28,32)(H,29,33)/t23-/m1/s1

InChI Key

RXLNSJFXNXSUPN-HSZRJFAPSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Anilides

Direct Parent

Benzanilides

Alternative Parents

Substituents

Benzanilide
Acylaminobenzoic acid or derivatives
Benzoate ester
Alpha-amino acid or derivatives
Benzoic acid or derivatives
Benzamide
N-arylamide
Benzoyl
Vinylogous amide
Methyl ester
Tertiary carboxylic acid amide
Secondary carboxylic acid amide
Secondary alcohol
Carboxylic acid ester
Carboxamide group
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.29	ChemAxon
pKa (Strongest Acidic)	3.84	ChemAxon
pKa (Strongest Basic)	-0.05	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	132.02 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	138.51 m³·mol⁻¹	ChemAxon
Polarizability	52.23 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

80564756

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

146682535

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Singh BK, Chaudhari AK, Das S, Tiwari S, Dubey NK: Preparation and characterization of a novel nanoemulsion consisting of chitosan and Cinnamomum tamala essential oil and its effect on shelf-life lengthening of stored millets. Pestic Biochem Physiol. 2022 Oct;187:105214. doi: 10.1016/j.pestbp.2022.105214. Epub 2022 Aug 30. [PubMed:36127040 ]
Kondra S, Pawar A, Bapuji AT, Sankar P: Development of a Rapid and validated stability-indicating UPLC-PDA method for concurrent quantification of impurity profiling and an assay of Ipratropium Bromide and Salbutamol Sulfate in Inhalation dosage form. Ann Pharm Fr. 2022 Sep 17. pii: S0003-4509(22)00116-X. doi: 10.1016/j.pharma.2022.09.002. [PubMed:36126754 ]
Zhang B, Yao B, Li X, Jing T, Zhang S, Zou H, Zhang G, Zou C: E74 knockdown represses larval development and chitin synthesis in Hyphantria cunea. Pestic Biochem Physiol. 2022 Oct;187:105216. doi: 10.1016/j.pestbp.2022.105216. Epub 2022 Aug 25. [PubMed:36127058 ]
Li S, Xiao Q, Yang H, Huang J, Li Y: Characterization of a new Bacillus velezensis as a powerful biocontrol agent against tomato gray mold. Pestic Biochem Physiol. 2022 Oct;187:105199. doi: 10.1016/j.pestbp.2022.105199. Epub 2022 Aug 8. [PubMed:36127070 ]
Kim Y, Goh G, Kim YH: Expression of antimicrobial peptides associated with different susceptibilities to environmental chemicals in Drosophila suzukii and Drosophila melanogaster. Pestic Biochem Physiol. 2022 Oct;187:105210. doi: 10.1016/j.pestbp.2022.105210. Epub 2022 Aug 11. [PubMed:36127054 ]
Xiang H, Li M, Xiao M, Liu M, Su X, Wang D, Li K, Chen R, Gan L, Chu K, Tian Y, Tang X, Lei X: Factors associated with risk behaviours towards hepatitis B among migrant workers: a cross-sectional study based on theory of planned behaviour. BMJ Open. 2022 Sep 20;12(9):e056452. doi: 10.1136/bmjopen-2021-056452. [PubMed:36127088 ]
Liu X, Yang J, Chen J, Li F, Sun H, Wei J, Li B: Impact of sublethal chlorantraniliprole on epidermis of Bombyx mori during prepupal-pupal transition. Pestic Biochem Physiol. 2022 Oct;187:105200. doi: 10.1016/j.pestbp.2022.105200. Epub 2022 Aug 8. [PubMed:36127071 ]
Castrejon-Godinez ML, Tovar-Sanchez E, Ortiz-Hernandez ML, Encarnacion-Guevara S, Martinez-Batallar AG, Hernandez-Ortiz M, Sanchez-Salinas E, Rodriguez A, Mussali-Galante P: Proteomic analysis of Burkholderia zhejiangensis CEIB S4-3 during the methyl parathion degradation process. Pestic Biochem Physiol. 2022 Oct;187:105197. doi: 10.1016/j.pestbp.2022.105197. Epub 2022 Aug 6. [PubMed:36127069 ]
Clemente CF, de Alcantara S, da Silva LMAV, Esteves LMB, Catelan A, Aidar KMS, Fagundes TC, Briso ALF: Direct dentin bleaching: Would it be possible? Photodiagnosis Photodyn Ther. 2022 Dec;40:103121. doi: 10.1016/j.pdpdt.2022.103121. Epub 2022 Sep 17. [PubMed:36126830 ]
Sneha, Pandey JP, Pandey DM: Evaluating the role of trypsin in silk degumming: An in silico approach. J Biotechnol. 2022 Nov 20;359:35-47. doi: 10.1016/j.jbiotec.2022.09.007. Epub 2022 Sep 17. [PubMed:36126805 ]
Yadav A, Singh C: Cyclooxygenase-2 activates the free radical-mediated apoptosis of polymorphonuclear leukocytes in the maneb- and paraquat-intoxicated rats. Pestic Biochem Physiol. 2022 Oct;187:105202. doi: 10.1016/j.pestbp.2022.105202. Epub 2022 Aug 9. [PubMed:36127053 ]
Cimmino G, Conte S, Marra L, Morello A, Morello M, De Rosa G, Pepe M, Sugraliyev A, Golino P, Cirillo P: Uric Acid Induces a Proatherothrombotic Phenotype in Human Endothelial Cells by Imbalancing the Tissue Factor/Tissue Factor Pathway Inhibitor Pathway. Thromb Haemost. 2023 Jan;123(1):64-75. doi: 10.1055/a-1947-7716. Epub 2022 Sep 20. [PubMed:36126947 ]
Dib JE, Hallit R, Akel M, Chalhoub C, Hachem M, Hallit S, Obeid S: Association Between Personality Traits/Dimensions and Fear of No Mobile Phone Connectivity (nomophobia): Results of a Lebanese National Study. Prim Care Companion CNS Disord. 2022 Sep 13;24(5):21m03036. doi: 10.4088/PCC.21m03036. [PubMed:36126917 ]
Yang QQ, Hua WP, Zou HL, Yang JX, Wang XZ, Zhang T, Wang DH, Zhu XJ, Cao XY: Overexpression of SmLAC25 promotes lignin accumulation and decreases salvianolic acid content in Salvia miltiorrhiza. Plant Sci. 2022 Dec;325:111462. doi: 10.1016/j.plantsci.2022.111462. Epub 2022 Sep 17. [PubMed:36126879 ]
Chen Z, Gu J, Lin S, Xu Z, Xu H, Zhao J, Feng P, Tao Y, Chen S, Wang P: Saffron essential oil ameliorates CUMS-induced depression-like behavior in mice via the MAPK-CREB1-BDNF signaling pathway. J Ethnopharmacol. 2023 Jan 10;300:115719. doi: 10.1016/j.jep.2022.115719. Epub 2022 Sep 17. [PubMed:36126781 ]
LOTUS database [Link]

Showing NP-Card for 2-({1-hydroxy-2-[(2r)-2-hydroxy-n-methyl-3-phenylpropanamido]ethylidene}amino)-n-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid (NP0318452)

MOL for NP0318452 (2-({1-hydroxy-2-[(2r)-2-hydroxy-n-methyl-3-phenylpropanamido]ethylidene}amino)-n-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid)

3D MOL for NP0318452 (2-({1-hydroxy-2-[(2r)-2-hydroxy-n-methyl-3-phenylpropanamido]ethylidene}amino)-n-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid)

3D SDF for NP0318452 (2-({1-hydroxy-2-[(2r)-2-hydroxy-n-methyl-3-phenylpropanamido]ethylidene}amino)-n-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid)

3D-SDF for NP0318452 (2-({1-hydroxy-2-[(2r)-2-hydroxy-n-methyl-3-phenylpropanamido]ethylidene}amino)-n-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid)

PDB for NP0318452 (2-({1-hydroxy-2-[(2r)-2-hydroxy-n-methyl-3-phenylpropanamido]ethylidene}amino)-n-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid)

3D PDB for NP0318452 (2-({1-hydroxy-2-[(2r)-2-hydroxy-n-methyl-3-phenylpropanamido]ethylidene}amino)-n-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid)

SMILES for NP0318452 (2-({1-hydroxy-2-[(2r)-2-hydroxy-n-methyl-3-phenylpropanamido]ethylidene}amino)-n-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid)

INCHI for NP0318452 (2-({1-hydroxy-2-[(2r)-2-hydroxy-n-methyl-3-phenylpropanamido]ethylidene}amino)-n-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid)

Structure for NP0318452 (2-({1-hydroxy-2-[(2r)-2-hydroxy-n-methyl-3-phenylpropanamido]ethylidene}amino)-n-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid)

3D Structure for NP0318452 (2-({1-hydroxy-2-[(2r)-2-hydroxy-n-methyl-3-phenylpropanamido]ethylidene}amino)-n-[2-(methoxycarbonyl)phenyl]benzenecarboximidic acid)