NP-MRD: Showing NP-Card for 3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid (NP0152882)

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Record Information

Version

2.0

Created at

2022-09-02 09:26:46 UTC

Updated at

2022-09-02 09:26:46 UTC

NP-MRD ID

NP0152882

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid

Description

3-Hydroxy-N-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]-2-phenylethyl}-C-hydroxycarbonimidoyl)ethyl]-2-[(1H-pyrrol-2-yl)formamido]butanimidic acid belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. 3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid is found in Aster tataricus. Based on a literature review very few articles have been published on 3-hydroxy-N-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]-2-phenylethyl}-C-hydroxycarbonimidoyl)ethyl]-2-[(1H-pyrrol-2-yl)formamido]butanimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022211262D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309022211262D          

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    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4694    2.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0215    2.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6090    3.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8020    3.2955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   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
    2.1434   -3.7125    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
  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
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  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
 17  9  1  4  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 20  1  4  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 30 34  1  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
  5 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0152882

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C(N=C(O)C(CC1=CC=CC=C1)N=C(O)C(CO)N=C(O)C(NC(=O)C1=CC=CN1)C(C)O)C(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C26H35N5O9/c1-14(33)20(30-22(35)17-10-7-11-27-17)25(38)29-19(13-32)24(37)28-18(12-16-8-5-4-6-9-16)23(36)31-21(15(2)34)26(39)40-3/h4-11,14-15,18-21,27,32-34H,12-13H2,1-3H3,(H,28,37)(H,29,38)(H,30,35)(H,31,36)

> <INCHI_KEY>
GQDCCFYSNGUVHO-UHFFFAOYSA-N

> <FORMULA>
C26H35N5O9

> <MOLECULAR_WEIGHT>
561.592

> <EXACT_MASS>
561.243477727

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
56.07129941994715

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-hydroxy-N-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]-2-phenylethyl}-C-hydroxycarbonimidoyl)ethyl]-2-[(1H-pyrrol-2-yl)formamido]butanimidic acid

> <ALOGPS_LOGP>
0.39

> <JCHEM_LOGP>
0.43809092500000024

> <ALOGPS_LOGS>
-3.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.8227744169409545

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.137613532507349

> <JCHEM_PKA_STRONGEST_BASIC>
1.0705656826349919

> <JCHEM_POLAR_SURFACE_AREA>
229.64999999999998

> <JCHEM_REFRACTIVITY>
141.56200000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.13e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-hydroxy-N-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]-2-phenylethyl}-C-hydroxycarbonimidoyl)ethyl]-2-(1H-pyrrol-2-ylformamido)butanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.000  -9.240   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       1.334  -5.390   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       4.001  -2.310   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.336  -2.310   0.000  0.00  0.00           O+0
HETATM   23  N   UNK     0       6.668  -0.770   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0       9.336   2.310   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.076   3.994   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      13.107   5.138   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.337   6.472   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0      10.830   6.152   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   38                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   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                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   35                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   34                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   30                                                       
CONECT   35   26   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38    5   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   82    0
END

View in JSmol

Synonyms

Value	Source
3-Hydroxy-N-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]-2-phenylethyl}-C-hydroxycarbonimidoyl)ethyl]-2-[(1H-pyrrol-2-yl)formamido]butanimidate	Generator

Chemical Formula

C₂₆H₃₅N₅O₉

Average Mass

561.5920 Da

Monoisotopic Mass

561.24348 Da

IUPAC Name

3-hydroxy-N-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]-2-phenylethyl}-C-hydroxycarbonimidoyl)ethyl]-2-[(1H-pyrrol-2-yl)formamido]butanimidic acid

Traditional Name

3-hydroxy-N-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]-2-phenylethyl}-C-hydroxycarbonimidoyl)ethyl]-2-(1H-pyrrol-2-ylformamido)butanimidic acid

CAS Registry Number

Not Available

SMILES

COC(=O)C(N=C(O)C(CC1=CC=CC=C1)N=C(O)C(CO)N=C(O)C(NC(=O)C1=CC=CN1)C(C)O)C(C)O

InChI Identifier

InChI=1S/C26H35N5O9/c1-14(33)20(30-22(35)17-10-7-11-27-17)25(38)29-19(13-32)24(37)28-18(12-16-8-5-4-6-9-16)23(36)31-21(15(2)34)26(39)40-3/h4-11,14-15,18-21,27,32-34H,12-13H2,1-3H3,(H,28,37)(H,29,38)(H,30,35)(H,31,36)

InChI Key

GQDCCFYSNGUVHO-UHFFFAOYSA-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

Species Name	Source	Reference
Aster tataricus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Peptides

Alternative Parents

Substituents

Alpha peptide
Alpha-amino acid ester
N-acyl-alpha amino acid or derivatives
Alpha-amino acid or derivatives
Amphetamine or derivatives
2-heteroaryl carboxamide
Pyrrole-2-carboxylic acid or derivatives
Pyrrole-2-carboxamide
Beta-hydroxy acid
Fatty acid ester
Monocyclic benzene moiety
Substituted pyrrole
Benzenoid
Hydroxy acid
Fatty acyl
Heteroaromatic compound
Pyrrole
Methyl ester
Carboxamide group
Carboxylic acid ester
Secondary carboxylic acid amide
Secondary alcohol
Propargyl-type 1,3-dipolar organic compound
Carboximidic acid
Carboximidic acid derivative
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic 1,3-dipolar compound
Alcohol
Primary alcohol
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
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	0.39	ALOGPS
logP	0.44	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	3.14	ChemAxon
pKa (Strongest Basic)	1.07	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	229.65 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	141.56 m³·mol⁻¹	ChemAxon
Polarizability	56.07 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

163066934

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid (NP0152882)

MOL for NP0152882 (3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid)

3D MOL for NP0152882 (3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid)

3D SDF for NP0152882 (3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid)

3D-SDF for NP0152882 (3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid)

PDB for NP0152882 (3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid)

3D PDB for NP0152882 (3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid)

SMILES for NP0152882 (3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid)

INCHI for NP0152882 (3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid)

Structure for NP0152882 (3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid)

3D Structure for NP0152882 (3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid)