NP-MRD: Showing NP-Card for 2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid (NP0244529)

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Record Information

Version

2.0

Created at

2022-09-07 05:20:53 UTC

Updated at

2022-09-07 05:20:53 UTC

NP-MRD ID

NP0244529

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid

Description

1Ph0 belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid is found in Artemisia annua, Elephantopus mollis, Euphorbia fischeriana and Sinularia scabra. Based on a literature review very few articles have been published on 1ph0.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072207202D          

 46 48  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309072207202D          

 46 48  0  0  1  0            999 V2000
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    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   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
    0.7145   -1.2375    0.0000 N   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 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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   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
   -0.0000    0.8250    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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6283   -1.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    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
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  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
  5 11  1  0  0  0  0
 11 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
 17 16  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
 22 23  2  0  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  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 25 41  1  0  0  0  0
 41 42  2  0  0  0  0
 22 42  1  0  0  0  0
 20 43  1  6  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0244529

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=C(O)C=CC=C1OCCCCN=C(O)[C@H](CC1=CC=C(C=C1)N(C(=O)C(O)=O)C1=CC=CC=C1C(O)=O)NC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C31H31N3O12/c1-45-30(42)25-23(35)9-6-10-24(25)46-16-5-4-15-32-26(36)21(33-31(43)44)17-18-11-13-19(14-12-18)34(27(37)29(40)41)22-8-3-2-7-20(22)28(38)39/h2-3,6-14,21,33,35H,4-5,15-17H2,1H3,(H,32,36)(H,38,39)(H,40,41)(H,43,44)/t21-/m0/s1

> <INCHI_KEY>
AYMZSPOIUVLDRK-NRFANRHFSA-N

> <FORMULA>
C31H31N3O12

> <MOLECULAR_WEIGHT>
637.598

> <EXACT_MASS>
637.19077345

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
62.80389815877669

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(1-carboxy-N-{4-[(2S)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-C-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid

> <JCHEM_LOGP>
2.7100239918129168

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.629577787914159

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.0583188389074403

> <JCHEM_PKA_STRONGEST_BASIC>
5.111895427565056

> <JCHEM_POLAR_SURFACE_AREA>
232.58999999999995

> <JCHEM_REFRACTIVITY>
159.5312

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-(1-carboxy-N-{4-[(2S)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-C-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.668 -11.550   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -6.668 -10.010   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -4.001 -10.010   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -8.002  -7.700   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       4.001  -6.930   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0       1.334  -2.310   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.000   1.540   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       4.906  -2.016   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   43  N   UNK     0       8.002  -7.700   0.000  0.00  0.00           N+0
HETATM   44  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      10.669  -7.700   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0       9.336  -5.390   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   11                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10    5   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   43                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   42                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   41                                                  
CONECT   26   25   27   32                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   26   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   32   38                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   25   42                                                       
CONECT   42   41   22                                                       
CONECT   43   20   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44                                                            
MASTER        0    0    0    0    0    0    0    0   46    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₃₁N₃O₁₂

Average Mass

637.5980 Da

Monoisotopic Mass

637.19077 Da

IUPAC Name

2-(1-carboxy-N-{4-[(2S)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-C-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid

Traditional Name

2-(1-carboxy-N-{4-[(2S)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-C-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid

CAS Registry Number

Not Available

SMILES

COC(=O)C1=C(O)C=CC=C1OCCCCN=C(O)[C@H](CC1=CC=C(C=C1)N(C(=O)C(O)=O)C1=CC=CC=C1C(O)=O)NC(O)=O

InChI Identifier

InChI=1S/C31H31N3O12/c1-45-30(42)25-23(35)9-6-10-24(25)46-16-5-4-15-32-26(36)21(33-31(43)44)17-18-11-13-19(14-12-18)34(27(37)29(40)41)22-8-3-2-7-20(22)28(38)39/h2-3,6-14,21,33,35H,4-5,15-17H2,1H3,(H,32,36)(H,38,39)(H,40,41)(H,43,44)/t21-/m0/s1

InChI Key

AYMZSPOIUVLDRK-NRFANRHFSA-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
Artemisia annua	LOTUS Database	35616633
Elephantopus mollis	LOTUS Database	35616633
Euphorbia fischeriana	LOTUS Database	35616633
Sinularia scabra	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Phenylalanine and derivatives

Alternative Parents

Substituents

Phenylalanine or derivatives
Acylaminobenzoic acid or derivatives
Alpha-amino acid amide
O-hydroxybenzoic acid ester
Amphetamine or derivatives
Benzoate ester
Salicylic acid or derivatives
Benzoic acid or derivatives
Benzoic acid
Anilide
Tricarboxylic acid or derivatives
Phenoxy compound
Benzoyl
Phenol ether
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Fatty acyl
Benzenoid
Fatty amide
Monocyclic benzene moiety
Tertiary carboxylic acid amide
Vinylogous acid
Methyl ester
Vinylogous amide
Secondary carboxylic acid amide
Carbonic acid derivative
Carboxylic acid ester
Carboxamide group
Carbamic acid derivative
Carbamic acid
Ether
Carboxylic acid
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
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	2.71	ChemAxon
pKa (Strongest Acidic)	2.06	ChemAxon
pKa (Strongest Basic)	5.11	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	232.59 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	159.53 m³·mol⁻¹	ChemAxon
Polarizability	62.8 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

394815

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

447837

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid (NP0244529)

MOL for NP0244529 (2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid)

3D MOL for NP0244529 (2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid)

3D SDF for NP0244529 (2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid)

3D-SDF for NP0244529 (2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid)

PDB for NP0244529 (2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid)

3D PDB for NP0244529 (2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid)

SMILES for NP0244529 (2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid)

INCHI for NP0244529 (2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid)

Structure for NP0244529 (2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid)

3D Structure for NP0244529 (2-(1-carboxy-n-{4-[(2s)-2-(carboxyamino)-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}-c-hydroxycarbonimidoyl)ethyl]phenyl}formamido)benzoic acid)