NP-MRD: Showing NP-Card for [5,8,11,14,17,20,23-heptahydroxy-9,12-bis(c-hydroxycarbonimidoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl]acetic acid (NP0318283)

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Record Information

Version

2.0

Created at

2022-09-11 18:41:22 UTC

Updated at

2022-09-11 18:41:22 UTC

NP-MRD ID

NP0318283

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[5,8,11,14,17,20,23-heptahydroxy-9,12-bis(c-hydroxycarbonimidoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl]acetic acid

Description

2-{5,8,11,14,17,20,23-Heptahydroxy-9,12-bis[(C-hydroxycarbonimidoyl)methyl]-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl}acetic acid belongs to the class of organic compounds known as 8-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 8-position. 2-{5,8,11,14,17,20,23-Heptahydroxy-9,12-bis[(C-hydroxycarbonimidoyl)methyl]-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl}acetic acid is a weakly acidic compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004181502242D          

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M  END


  Mrv1533004181502242D          

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 57 58  1  0  0  0  0
 56 59  1  0  0  0  0
 59 60  2  0  0  0  0
 59 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 63 65  1  0  0  0  0
 62 66  1  0  0  0  0
 66 67  2  0  0  0  0
 66 68  1  0  0  0  0
 16 68  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0318283

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCC(C)(O)C1CC(=O)NC(CO)C(=O)NC(C)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C42H71N9O17/c1-5-6-7-8-9-10-11-12-13-14-15-42(4,67)29-19-32(57)46-27(20-52)39(64)45-22(2)35(60)47-26(18-33(58)59)38(63)49-24(16-30(43)55)36(61)48-25(17-31(44)56)37(62)50-28(21-53)40(65)51-34(23(3)54)41(66)68-29/h22-29,34,52-54,67H,5-21H2,1-4H3,(H2,43,55)(H2,44,56)(H,45,64)(H,46,57)(H,47,60)(H,48,61)(H,49,63)(H,50,62)(H,51,65)(H,58,59)

> <INCHI_KEY>
INJLZOSCEJMAGG-UHFFFAOYSA-N

> <FORMULA>
C42H71N9O17

> <MOLECULAR_WEIGHT>
974.076

> <EXACT_MASS>
973.496791862

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
139

> <JCHEM_AVERAGE_POLARIZABILITY>
99.42934376817709

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
14

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[9,12-bis(carbamoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-15-yl]acetic acid

> <ALOGPS_LOGP>
-0.49

> <JCHEM_LOGP>
-5.123192917333332

> <ALOGPS_LOGS>
-4.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.019695099862233

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.896012624947533

> <JCHEM_POLAR_SURFACE_AREA>
434.3999999999999

> <JCHEM_REFRACTIVITY>
232.98890000000023

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.31e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[9,12-bis(carbamoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-15-yl]acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 18-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-APR-15         0                                  
HETATM    1  C   UNK     0     -16.139   0.777   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -14.805   0.007   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -13.471   0.777   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -12.138   0.007   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.804   0.777   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.470   0.007   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -8.137   0.777   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.803   0.007   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.469   0.777   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.136   0.007   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.802   0.777   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.468   0.007   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.135   0.777   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.635  -0.556   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -0.905   2.111   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.199   1.547   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.024   2.542   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.607   3.968   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.204   5.277   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0       2.142   3.854   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       3.518   4.827   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.344   6.357   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.931   6.971   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.944   4.244   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.151   2.718   0.000  0.00  0.00           O+0
HETATM   26  N   UNK     0       6.161   5.187   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       7.587   4.604   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.794   3.078   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.804   5.547   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       8.596   7.073   0.000  0.00  0.00           O+0
HETATM   31  N   UNK     0      10.230   4.964   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      11.447   5.907   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      11.239   7.432   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      12.457   8.375   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      12.249   9.901   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      13.882   7.792   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      12.873   5.324   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      14.090   6.267   0.000  0.00  0.00           O+0
HETATM   39  N   UNK     0      13.080   3.798   0.000  0.00  0.00           N+0
HETATM   40  C   UNK     0      14.506   3.215   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      15.723   4.158   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      17.149   3.575   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      18.366   4.518   0.000  0.00  0.00           O+0
HETATM   44  N   UNK     0      17.357   2.049   0.000  0.00  0.00           N+0
HETATM   45  C   UNK     0      14.714   1.689   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      16.139   1.106   0.000  0.00  0.00           O+0
HETATM   47  N   UNK     0      13.496   0.746   0.000  0.00  0.00           N+0
HETATM   48  C   UNK     0      12.071   1.329   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      12.278  -0.197   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      13.704  -0.780   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      14.921   0.163   0.000  0.00  0.00           O+0
HETATM   52  N   UNK     0      13.912  -2.306   0.000  0.00  0.00           N+0
HETATM   53  C   UNK     0      10.853   0.386   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      11.061  -1.140   0.000  0.00  0.00           O+0
HETATM   55  N   UNK     0       9.428   0.969   0.000  0.00  0.00           N+0
HETATM   56  C   UNK     0       8.210   0.026   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       8.418  -1.500   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0       9.843  -2.083   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0       6.785   0.609   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0       6.577   2.135   0.000  0.00  0.00           O+0
HETATM   61  N   UNK     0       5.567  -0.334   0.000  0.00  0.00           N+0
HETATM   62  C   UNK     0       4.142   0.249   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       4.350  -1.277   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       3.132  -2.220   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0       5.775  -1.860   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0       2.924  -0.694   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0       2.195  -2.051   0.000  0.00  0.00           O+0
HETATM   68  O   UNK     0       1.499  -0.111   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
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   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13   17   68                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   21   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   32   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41   45                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42                                                            
CONECT   45   40   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48                                                       
CONECT   48   47   49   53                                                  
CONECT   49   48   50                                                       
CONECT   50   49   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50                                                            
CONECT   53   48   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56                                                       
CONECT   56   55   57   59                                                  
CONECT   57   56   58                                                       
CONECT   58   57                                                            
CONECT   59   56   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59   62                                                       
CONECT   62   61   63   66                                                  
CONECT   63   62   64   65                                                  
CONECT   64   63                                                            
CONECT   65   63                                                            
CONECT   66   62   67   68                                                  
CONECT   67   66                                                            
CONECT   68   66   16                                                       
MASTER        0    0    0    0    0    0    0    0   68    0  136    0
END

View in JSmol

Synonyms

Value	Source
2-{5,8,11,14,17,20,23-heptahydroxy-9,12-bis[(C-hydroxycarbonimidoyl)methyl]-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl}acetate	Generator

Chemical Formula

C₄₂H₇₁N₉O₁₇

Average Mass

974.0760 Da

Monoisotopic Mass

973.49679 Da

IUPAC Name

2-[9,12-bis(carbamoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-15-yl]acetic acid

Traditional Name

[9,12-bis(carbamoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-15-yl]acetic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCC(C)(O)C1CC(=O)NC(CO)C(=O)NC(C)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)O1

InChI Identifier

InChI=1S/C42H71N9O17/c1-5-6-7-8-9-10-11-12-13-14-15-42(4,67)29-19-32(57)46-27(20-52)39(64)45-22(2)35(60)47-26(18-33(58)59)38(63)49-24(16-30(43)55)36(61)48-25(17-31(44)56)37(62)50-28(21-53)40(65)51-34(23(3)54)41(66)68-29/h22-29,34,52-54,67H,5-21H2,1-4H3,(H2,43,55)(H2,44,56)(H,45,64)(H,46,57)(H,47,60)(H,48,61)(H,49,63)(H,50,62)(H,51,65)(H,58,59)

InChI Key

INJLZOSCEJMAGG-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 8-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 8-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

8-prenylated flavanones

Alternative Parents

Substituents

8-prenylated flavanone
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
Flavanone
Flavanonol
Hydroxyflavonoid
Chromone
Chromane
Benzopyran
1-benzopyran
Coumaran
Aryl alkyl ketone
Aryl ketone
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Vinylogous acid
Secondary alcohol
Ketone
Ether
Organoheterocyclic compound
Oxacycle
Organic oxygen compound
Hydrocarbon derivative
Alcohol
Organooxygen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	-0.49	ALOGPS
logP	-5.1	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	3.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	14	ChemAxon
Polar Surface Area	434.4 Å²	ChemAxon
Rotatable Bond Count	21	ChemAxon
Refractivity	232.99 m³·mol⁻¹	ChemAxon
Polarizability	99.43 Å³	ChemAxon
Number of Rings	1	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

9832989

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [5,8,11,14,17,20,23-heptahydroxy-9,12-bis(c-hydroxycarbonimidoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl]acetic acid (NP0318283)

MOL for NP0318283 ([5,8,11,14,17,20,23-heptahydroxy-9,12-bis(c-hydroxycarbonimidoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl]acetic acid)

3D MOL for NP0318283 ([5,8,11,14,17,20,23-heptahydroxy-9,12-bis(c-hydroxycarbonimidoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl]acetic acid)

3D SDF for NP0318283 ([5,8,11,14,17,20,23-heptahydroxy-9,12-bis(c-hydroxycarbonimidoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl]acetic acid)

3D-SDF for NP0318283 ([5,8,11,14,17,20,23-heptahydroxy-9,12-bis(c-hydroxycarbonimidoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl]acetic acid)

PDB for NP0318283 ([5,8,11,14,17,20,23-heptahydroxy-9,12-bis(c-hydroxycarbonimidoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl]acetic acid)

3D PDB for NP0318283 ([5,8,11,14,17,20,23-heptahydroxy-9,12-bis(c-hydroxycarbonimidoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl]acetic acid)

SMILES for NP0318283 ([5,8,11,14,17,20,23-heptahydroxy-9,12-bis(c-hydroxycarbonimidoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl]acetic acid)

INCHI for NP0318283 ([5,8,11,14,17,20,23-heptahydroxy-9,12-bis(c-hydroxycarbonimidoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl]acetic acid)

Structure for NP0318283 ([5,8,11,14,17,20,23-heptahydroxy-9,12-bis(c-hydroxycarbonimidoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl]acetic acid)

3D Structure for NP0318283 ([5,8,11,14,17,20,23-heptahydroxy-9,12-bis(c-hydroxycarbonimidoylmethyl)-3-(1-hydroxyethyl)-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-15-yl]acetic acid)