NP-MRD: Showing NP-Card for (2e)-n-[(1r)-2-(3-chloro-4-methoxyphenyl)-1-{[(2s)-3-methoxy-2-methyl-3-oxopropyl]-c-hydroxycarbonimidoyl}ethyl]-4-[(3r,4r)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid (NP0272599)

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Record Information

Version

2.0

Created at

2022-09-08 19:16:21 UTC

Updated at

2022-09-08 19:16:21 UTC

NP-MRD ID

NP0272599

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-n-[(1r)-2-(3-chloro-4-methoxyphenyl)-1-{[(2s)-3-methoxy-2-methyl-3-oxopropyl]-c-hydroxycarbonimidoyl}ethyl]-4-[(3r,4r)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid

Description

(2E)-N-[(1R)-2-(3-chloro-4-methoxyphenyl)-1-{[(2S)-3-methoxy-2-methyl-3-oxopropyl]-C-hydroxycarbonimidoyl}ethyl]-4-[(3R,4R)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid belongs to the class of organic compounds known as hybrid glycopeptides. Hybrid glycopeptides are compounds containing a carbohydrate component linked to a hybrid peptide component. Based on a literature review very few articles have been published on (2E)-N-[(1R)-2-(3-chloro-4-methoxyphenyl)-1-{[(2S)-3-methoxy-2-methyl-3-oxopropyl]-C-hydroxycarbonimidoyl}ethyl]-4-[(3R,4R)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082221162D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309082221162D          

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    2.9155   -4.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0017   -3.2572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8087   -3.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1442   -2.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6593   -1.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9949   -0.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3003   -1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9647   -2.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2212   -3.8001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0417   -3.8863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6692   -4.4132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8407   -5.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  8  7  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 13 21  1  0  0  0  0
 11 22  1  6  0  0  0
 22 23  2  0  0  0  0
 23 24  1  4  0  0  0
 23 25  1  0  0  0  0
 25 26  2  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
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 30 37  1  0  0  0  0
 37 38  1  6  0  0  0
 37 39  1  0  0  0  0
 28 39  1  0  0  0  0
 39 40  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0272599

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@@H](C)CN=C(O)[C@@H](CC1=CC=C(OC)C(Cl)=C1)N=C(O)\C=C\CC1OC([C@H](O)[C@H]1C)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H37ClN2O7/c1-18(30(37)39-4)17-32-29(36)23(16-20-13-14-25(38-3)22(31)15-20)33-26(34)12-8-11-24-19(2)27(35)28(40-24)21-9-6-5-7-10-21/h5-10,12-15,18-19,23-24,27-28,35H,11,16-17H2,1-4H3,(H,32,36)(H,33,34)/b12-8+/t18-,19-,23+,24?,27+,28?/m0/s1

> <INCHI_KEY>
UDONTJXRCICYGH-QERZVVJYSA-N

> <FORMULA>
C30H37ClN2O7

> <MOLECULAR_WEIGHT>
573.08

> <EXACT_MASS>
572.2289292

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
60.163444170843846

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-N-[(1R)-2-(3-chloro-4-methoxyphenyl)-1-{[(2S)-3-methoxy-2-methyl-3-oxopropyl]-C-hydroxycarbonimidoyl}ethyl]-4-[(3R,4R)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid

> <JCHEM_LOGP>
3.9208131977640477

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
5.944687919052546

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.0521268839420714

> <JCHEM_PKA_STRONGEST_BASIC>
4.63109144757099

> <JCHEM_POLAR_SURFACE_AREA>
130.17000000000002

> <JCHEM_REFRACTIVITY>
152.5484

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-N-[(1R)-2-(3-chloro-4-methoxyphenyl)-1-{[(2S)-3-methoxy-2-methyl-3-oxopropyl]-C-hydroxycarbonimidoyl}ethyl]-4-[(3R,4R)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.561 -17.622   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -5.227 -16.852   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -3.894 -17.622   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -3.894 -19.162   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -2.560 -16.852   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.560 -15.312   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.226 -17.622   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       0.108 -16.852   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       0.108 -15.312   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.226 -14.542   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.441 -14.542   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.775 -15.312   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.775 -16.852   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.109 -17.622   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.109 -19.162   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.775 -19.932   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.775 -21.472   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.441 -22.242   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.441 -19.162   0.000  0.00  0.00           C+0
HETATM   20 Cl   UNK     0       0.108 -19.932   0.000  0.00  0.00          Cl+0
HETATM   21  C   UNK     0       1.441 -17.622   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       1.441 -13.002   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       2.775 -12.232   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.109 -13.002   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.775 -10.692   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.109  -9.922   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.109  -8.382   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.442  -7.612   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       5.603  -6.080   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       7.110  -5.760   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.736  -4.353   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.831  -3.107   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.457  -1.700   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.989  -1.539   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.894  -2.785   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       9.267  -4.192   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.880  -7.094   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       9.411  -7.255   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       6.849  -8.238   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       7.169  -9.744   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    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   22                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   13                                                       
CONECT   22   11   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   39                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   37                                                  
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                                                       
CONECT   37   30   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   28   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   84    0
END

View in JSmol

Synonyms

Value	Source
(2E)-N-[(1R)-2-(3-Chloro-4-methoxyphenyl)-1-{[(2S)-3-methoxy-2-methyl-3-oxopropyl]-C-hydroxycarbonimidoyl}ethyl]-4-[(3R,4R)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidate	Generator

Chemical Formula

C₃₀H₃₇ClN₂O₇

Average Mass

573.0800 Da

Monoisotopic Mass

572.22893 Da

IUPAC Name

(2E)-N-[(1R)-2-(3-chloro-4-methoxyphenyl)-1-{[(2S)-3-methoxy-2-methyl-3-oxopropyl]-C-hydroxycarbonimidoyl}ethyl]-4-[(3R,4R)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid

Traditional Name

(2E)-N-[(1R)-2-(3-chloro-4-methoxyphenyl)-1-{[(2S)-3-methoxy-2-methyl-3-oxopropyl]-C-hydroxycarbonimidoyl}ethyl]-4-[(3R,4R)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid

CAS Registry Number

Not Available

SMILES

COC(=O)[C@@H](C)CN=C(O)[C@@H](CC1=CC=C(OC)C(Cl)=C1)N=C(O)\C=C\CC1OC([C@H](O)[C@H]1C)C1=CC=CC=C1

InChI Identifier

InChI=1S/C30H37ClN2O7/c1-18(30(37)39-4)17-32-29(36)23(16-20-13-14-25(38-3)22(31)15-20)33-26(34)12-8-11-24-19(2)27(35)28(40-24)21-9-6-5-7-10-21/h5-10,12-15,18-19,23-24,27-28,35H,11,16-17H2,1-4H3,(H,32,36)(H,33,34)/b12-8+/t18-,19-,23+,24?,27+,28?/m0/s1

InChI Key

UDONTJXRCICYGH-QERZVVJYSA-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 hybrid glycopeptides. Hybrid glycopeptides are compounds containing a carbohydrate component linked to a hybrid peptide component.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Hybrid peptides

Direct Parent

Hybrid glycopeptides

Alternative Parents

Substituents

Hybrid glycopeptide
Glycosyl compound
C-glycosyl compound
Pentose monosaccharide
Amphetamine or derivatives
Phenoxy compound
Methoxybenzene
Phenol ether
Anisole
Halobenzene
Chlorobenzene
Alkyl aryl ether
Benzenoid
Monosaccharide
Monocyclic benzene moiety
Aryl halide
Aryl chloride
Methyl ester
Tetrahydrofuran
Secondary alcohol
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Carboximidic acid derivative
Carboximidic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Carbonyl group
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	3.92	ChemAxon
pKa (Strongest Acidic)	2.05	ChemAxon
pKa (Strongest Basic)	4.63	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	130.17 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	152.55 m³·mol⁻¹	ChemAxon
Polarizability	60.16 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

155802352

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2e)-n-[(1r)-2-(3-chloro-4-methoxyphenyl)-1-{[(2s)-3-methoxy-2-methyl-3-oxopropyl]-c-hydroxycarbonimidoyl}ethyl]-4-[(3r,4r)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid (NP0272599)

MOL for NP0272599 ((2e)-n-[(1r)-2-(3-chloro-4-methoxyphenyl)-1-{[(2s)-3-methoxy-2-methyl-3-oxopropyl]-c-hydroxycarbonimidoyl}ethyl]-4-[(3r,4r)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid)

3D MOL for NP0272599 ((2e)-n-[(1r)-2-(3-chloro-4-methoxyphenyl)-1-{[(2s)-3-methoxy-2-methyl-3-oxopropyl]-c-hydroxycarbonimidoyl}ethyl]-4-[(3r,4r)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid)

3D SDF for NP0272599 ((2e)-n-[(1r)-2-(3-chloro-4-methoxyphenyl)-1-{[(2s)-3-methoxy-2-methyl-3-oxopropyl]-c-hydroxycarbonimidoyl}ethyl]-4-[(3r,4r)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid)

3D-SDF for NP0272599 ((2e)-n-[(1r)-2-(3-chloro-4-methoxyphenyl)-1-{[(2s)-3-methoxy-2-methyl-3-oxopropyl]-c-hydroxycarbonimidoyl}ethyl]-4-[(3r,4r)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid)

PDB for NP0272599 ((2e)-n-[(1r)-2-(3-chloro-4-methoxyphenyl)-1-{[(2s)-3-methoxy-2-methyl-3-oxopropyl]-c-hydroxycarbonimidoyl}ethyl]-4-[(3r,4r)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid)

3D PDB for NP0272599 ((2e)-n-[(1r)-2-(3-chloro-4-methoxyphenyl)-1-{[(2s)-3-methoxy-2-methyl-3-oxopropyl]-c-hydroxycarbonimidoyl}ethyl]-4-[(3r,4r)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid)

SMILES for NP0272599 ((2e)-n-[(1r)-2-(3-chloro-4-methoxyphenyl)-1-{[(2s)-3-methoxy-2-methyl-3-oxopropyl]-c-hydroxycarbonimidoyl}ethyl]-4-[(3r,4r)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid)

INCHI for NP0272599 ((2e)-n-[(1r)-2-(3-chloro-4-methoxyphenyl)-1-{[(2s)-3-methoxy-2-methyl-3-oxopropyl]-c-hydroxycarbonimidoyl}ethyl]-4-[(3r,4r)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid)

Structure for NP0272599 ((2e)-n-[(1r)-2-(3-chloro-4-methoxyphenyl)-1-{[(2s)-3-methoxy-2-methyl-3-oxopropyl]-c-hydroxycarbonimidoyl}ethyl]-4-[(3r,4r)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid)

3D Structure for NP0272599 ((2e)-n-[(1r)-2-(3-chloro-4-methoxyphenyl)-1-{[(2s)-3-methoxy-2-methyl-3-oxopropyl]-c-hydroxycarbonimidoyl}ethyl]-4-[(3r,4r)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enimidic acid)