NP-MRD: Showing NP-Card for (2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid (NP0300395)

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Record Information

Version

2.0

Created at

2022-09-10 12:46:27 UTC

Updated at

2022-09-10 12:46:27 UTC

NP-MRD ID

NP0300395

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid

Description

Boletocrocin G belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. (2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid is found in Crocinoboletus laetissimus. Based on a literature review very few articles have been published on Boletocrocin G.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102214462D          

 37 36  0  0  1  0            999 V2000
   16.9125   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0875   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6750   10.0026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0875    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   10.0026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.4375    9.2881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   10.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    2.8579    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4750    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   10.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   11.4315    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  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  2  0  0  0  0
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  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  2  0  0  0  0
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 32 34  1  0  0  0  0
  5 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309102214462D          

 37 36  0  0  1  0            999 V2000
   16.9125   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  4  0  0  0
 23 25  2  0  0  0  0
 26 25  1  6  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  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
 32 34  1  0  0  0  0
  5 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0300395

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H](C)[C@H](N=C(O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C(O)=N[C@@H](CCC(O)=N)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H35N3O7/c1-3-20(2)25(27(36)37)30-24(33)17-15-13-11-9-7-5-4-6-8-10-12-14-16-23(32)29-21(26(34)35)18-19-22(28)31/h4-17,20-21,25H,3,18-19H2,1-2H3,(H2,28,31)(H,29,32)(H,30,33)(H,34,35)(H,36,37)/b5-4+,8-6+,9-7+,12-10+,13-11+,16-14+,17-15+/t20-,21-,25-/m0/s1

> <INCHI_KEY>
CNIODEQJTNEOAX-VHOBQHEYSA-N

> <FORMULA>
C27H35N3O7

> <MOLECULAR_WEIGHT>
513.591

> <EXACT_MASS>
513.247500479

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
58.19996425853151

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S)-2-{[(2E,4E,6E,8E,10E,12E,14E)-15-{[(1S)-1-carboxy-3-(C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid

> <JCHEM_LOGP>
1.8533810888440478

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.750467290748515

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.4657194917488301

> <JCHEM_PKA_STRONGEST_BASIC>
12.900582906166589

> <JCHEM_POLAR_SURFACE_AREA>
183.85999999999999

> <JCHEM_REFRACTIVITY>
159.30260000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S)-2-{[(2E,4E,6E,8E,10E,12E,14E)-15-{[(1S)-1-carboxy-3-(C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      31.570  20.005   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      30.030  20.005   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      29.260  18.672   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      30.030  17.338   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      27.720  18.672   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      26.950  17.338   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      25.410  17.338   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      24.640  18.672   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      24.640  16.004   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      23.100  16.004   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      22.330  14.670   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      20.790  14.670   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      20.020  13.337   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.480  13.337   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.710  12.003   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.170  12.003   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.400  10.669   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.860  10.669   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      13.090   9.336   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.550   9.336   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.780   8.002   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.240   8.002   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.470   6.668   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       9.240   5.335   0.000  0.00  0.00           O+0
HETATM   25  N   UNK     0       6.930   6.668   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       6.160   5.335   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.620   5.335   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.850   4.001   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.310   4.001   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       1.540   2.667   0.000  0.00  0.00           N+0
HETATM   31  O   UNK     0       1.540   5.335   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       8.470   4.001   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       6.160   2.667   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      26.950  20.005   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      25.410  20.005   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      27.720  21.339   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   35                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   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                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   32                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   26   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35    5   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₅N₃O₇

Average Mass

513.5910 Da

Monoisotopic Mass

513.24750 Da

IUPAC Name

(2S,3S)-2-{[(2E,4E,6E,8E,10E,12E,14E)-15-{[(1S)-1-carboxy-3-(C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid

Traditional Name

(2S,3S)-2-{[(2E,4E,6E,8E,10E,12E,14E)-15-{[(1S)-1-carboxy-3-(C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid

CAS Registry Number

Not Available

SMILES

CC[C@H](C)[C@H](N=C(O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C(O)=N[C@@H](CCC(O)=N)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C27H35N3O7/c1-3-20(2)25(27(36)37)30-24(33)17-15-13-11-9-7-5-4-6-8-10-12-14-16-23(32)29-21(26(34)35)18-19-22(28)31/h4-17,20-21,25H,3,18-19H2,1-2H3,(H2,28,31)(H,29,32)(H,30,33)(H,34,35)(H,36,37)/b5-4+,8-6+,9-7+,12-10+,13-11+,16-14+,17-15+/t20-,21-,25-/m0/s1

InChI Key

CNIODEQJTNEOAX-VHOBQHEYSA-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
Crocinoboletus laetissimus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine 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

Glutamine and derivatives

Alternative Parents

Substituents

Glutamine or derivatives
Isoleucine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
N-acyl-l-glutamine
Branched fatty acid
Methyl-branched fatty acid
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Primary carboxylic acid amide
Secondary carboxylic acid amide
Carboxamide group
Carboxylic acid
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Organic oxide
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	1.85	ChemAxon
pKa (Strongest Acidic)	-0.47	ChemAxon
pKa (Strongest Basic)	12.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	183.86 Å²	ChemAxon
Rotatable Bond Count	17	ChemAxon
Refractivity	159.3 m³·mol⁻¹	ChemAxon
Polarizability	58.2 Å³	ChemAxon
Number of Rings	0	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

78436902

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

100927527

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid (NP0300395)

MOL for NP0300395 ((2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid)

3D MOL for NP0300395 ((2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid)

3D SDF for NP0300395 ((2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid)

3D-SDF for NP0300395 ((2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid)

PDB for NP0300395 ((2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid)

3D PDB for NP0300395 ((2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid)

SMILES for NP0300395 ((2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid)

INCHI for NP0300395 ((2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid)

Structure for NP0300395 ((2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid)

3D Structure for NP0300395 ((2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid)