NP-MRD: Showing NP-Card for 3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid (NP0218282)

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Record Information

Version

2.0

Created at

2022-09-05 18:53:54 UTC

Updated at

2022-09-05 18:53:54 UTC

NP-MRD ID

NP0218282

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid

Description

3-Hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoic acid belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid is found in Myxococcus xanthus. Based on a literature review very few articles have been published on 3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052220532D          

 41 42  0  0  0  0            999 V2000
  -16.7213  -12.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309052220532D          

 41 42  0  0  0  0            999 V2000
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   -4.5753  -10.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5753  -12.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5753  -13.4435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8608  -12.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1463  -12.6185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8608  -11.3810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0068  -13.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7213  -13.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8075  -14.6764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6145  -14.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9501  -15.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4651  -16.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8007  -17.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3882  -17.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9402  -18.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6939  -18.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6077  -17.1943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0270  -14.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4750  -13.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6465  -12.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  4  0  0  0
  3  4  2  0  0  0  0
  5  4  1  4  0  0  0
  5  6  2  0  0  0  0
  7  6  1  4  0  0  0
  7  8  2  0  0  0  0
  9  8  1  4  0  0  0
  9 10  2  0  0  0  0
 11 10  1  4  0  0  0
 11 12  2  0  0  0  0
 13 12  1  4  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  4  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
  2 28  2  0  0  0  0
 28 29  1  4  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 31  1  4  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
 37 38  1  0  0  0  0
 34 38  1  0  0  0  0
 31 39  1  0  0  0  0
 39 40  1  0  0  0  0
 29 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0218282

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC(C=CC2=CC=CN2)=NC1C=C(C)C=CC=CC=CC=CC=CC=C(C)C(O)=NC(C(O)C(O)=N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C31H36N4O6/c1-21(20-25-23(3)41-26(34-25)18-17-24-16-13-19-33-24)14-11-9-7-5-4-6-8-10-12-15-22(2)30(38)35-27(31(39)40)28(36)29(32)37/h4-20,23,25,27-28,33,36H,1-3H3,(H2,32,37)(H,35,38)(H,39,40)

> <INCHI_KEY>
MXHQABZBXSDAKE-UHFFFAOYSA-N

> <FORMULA>
C31H36N4O6

> <MOLECULAR_WEIGHT>
560.651

> <EXACT_MASS>
560.263484895

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
63.873805096013065

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoic acid

> <JCHEM_LOGP>
1.7079094504730208

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.9198105887817065

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.979596755259675

> <JCHEM_PKA_STRONGEST_BASIC>
12.273115872479265

> <JCHEM_POLAR_SURFACE_AREA>
171.57999999999998

> <JCHEM_REFRACTIVITY>
176.78849999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0     -31.213 -22.784   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -29.879 -23.554   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -28.546 -22.784   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -27.212 -23.554   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -25.878 -22.784   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -24.545 -23.554   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -23.211 -22.784   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -21.877 -23.554   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -20.544 -22.784   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -19.210 -23.554   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -17.876 -22.784   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -16.543 -23.554   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -15.209 -22.784   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -13.875 -23.554   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -13.875 -25.094   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -12.542 -22.784   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0     -12.542 -21.244   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0     -11.208 -23.554   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -9.874 -22.784   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -9.874 -21.244   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0     -11.208 -20.474   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -8.541 -20.474   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -8.541 -23.554   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -8.541 -25.094   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -7.207 -22.784   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      -5.873 -23.554   0.000  0.00  0.00           N+0
HETATM   27  O   UNK     0      -7.207 -21.244   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0     -29.879 -25.094   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -31.213 -25.864   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0     -31.374 -27.396   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0     -32.880 -27.716   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -33.507 -29.123   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0     -32.602 -30.369   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -33.228 -31.776   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -32.458 -33.110   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -33.488 -34.254   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -34.895 -33.628   0.000  0.00  0.00           C+0
HETATM   38  N   UNK     0     -34.734 -32.096   0.000  0.00  0.00           N+0
HETATM   39  O   UNK     0     -33.650 -26.383   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0     -32.620 -25.238   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0     -32.940 -23.732   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   28                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   23                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   19   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28    2   29                                                       
CONECT   29   28   30   40                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   39                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   38                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   34                                                       
CONECT   39   31   40                                                       
CONECT   40   39   29   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   84    0
END

View in JSmol

Synonyms

Value	Source
3-Hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoate	Generator

Chemical Formula

C₃₁H₃₆N₄O₆

Average Mass

560.6510 Da

Monoisotopic Mass

560.26348 Da

IUPAC Name

3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

CC1OC(C=CC2=CC=CN2)=NC1C=C(C)C=CC=CC=CC=CC=CC=C(C)C(O)=NC(C(O)C(O)=N)C(O)=O

InChI Identifier

InChI=1S/C31H36N4O6/c1-21(20-25-23(3)41-26(34-25)18-17-24-16-13-19-33-24)14-11-9-7-5-4-6-8-10-12-15-22(2)30(38)35-27(31(39)40)28(36)29(32)37/h4-20,23,25,27-28,33,36H,1-3H3,(H2,32,37)(H,35,38)(H,39,40)

InChI Key

MXHQABZBXSDAKE-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
Myxococcus xanthus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Substituents

N-acyl-alpha-amino acid
Beta-hydroxy acid
Hydroxy acid
N-acyl-amine
Substituted pyrrole
Heteroaromatic compound
Oxazoline
Pyrrole
Carboxamide group
Imido ester
Secondary alcohol
Secondary carboxylic acid amide
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Oxacycle
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organic oxide
Carbonyl group
Hydrocarbon derivative
Alcohol
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
Organic nitrogen compound
Organopnictogen 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	1.71	ChemAxon
pKa (Strongest Acidic)	-4	ChemAxon
pKa (Strongest Basic)	12.27	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	171.58 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	176.79 m³·mol⁻¹	ChemAxon
Polarizability	63.87 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

163012151

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-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid (NP0218282)

MOL for NP0218282 (3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid)

3D MOL for NP0218282 (3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid)

3D SDF for NP0218282 (3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid)

3D-SDF for NP0218282 (3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid)

PDB for NP0218282 (3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid)

3D PDB for NP0218282 (3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid)

SMILES for NP0218282 (3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid)

INCHI for NP0218282 (3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid)

Structure for NP0218282 (3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid)

3D Structure for NP0218282 (3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid)