NP-MRD: Showing NP-Card for (4z)-6-[(2r,5r,8r,11r,12s)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid (NP0272235)

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Record Information

Version

2.0

Created at

2022-09-08 18:47:26 UTC

Updated at

2022-09-08 18:47:26 UTC

NP-MRD ID

NP0272235

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4z)-6-[(2r,5r,8r,11r,12s)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid

Description

AZUMAMIDE C belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Based on a literature review very few articles have been published on AZUMAMIDE C.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082220472D          

 38 39  0  0  1  0            999 V2000
    2.2035    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9671    4.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0785    5.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6194    3.7849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8743    4.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993    4.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1843    5.2370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543    3.7849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3020    3.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4390    3.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1444    3.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8676    3.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8855    4.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7158    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.2868    0.8250    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346    3.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 36 37  2  0  0  0  0
  4 37  1  0  0  0  0
 37 38  1  4  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309082220472D          

 38 39  0  0  1  0            999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  4  0  0  0
  6  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  4  0  0  0
 20 22  1  0  0  0  0
 22 23  1  1  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  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 24 30  1  0  0  0  0
 22 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  4  0  0  0
 32 34  1  0  0  0  0
 34 35  1  6  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
  4 37  1  0  0  0  0
 37 38  1  4  0  0  0
M  END
> <DATABASE_ID>
NP0272235

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@H]1N=C(O)[C@@H](C)[C@@H](C\C=C/CCC(O)=O)N=C(O)[C@@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H](C)N=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H38N4O7/c1-15(2)23-27(38)28-17(4)25(36)30-21(14-18-10-12-19(32)13-11-18)26(37)29-20(16(3)24(35)31-23)8-6-5-7-9-22(33)34/h5-6,10-13,15-17,20-21,23,32H,7-9,14H2,1-4H3,(H,28,38)(H,29,37)(H,30,36)(H,31,35)(H,33,34)/b6-5-/t16-,17+,20+,21+,23+/m0/s1

> <INCHI_KEY>
QKNOLJBQLJGNKI-LFUPQXEOSA-N

> <FORMULA>
C27H38N4O7

> <MOLECULAR_WEIGHT>
530.622

> <EXACT_MASS>
530.27404958

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
55.33597201177437

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4Z)-6-[(2R,5R,8R,11R,12S)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-5,12-dimethyl-2-(propan-2-yl)-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid

> <JCHEM_LOGP>
-0.5961940656187936

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
1.2433353028022154

> <JCHEM_PKA_STRONGEST_ACIDIC>
-6.38071160412906

> <JCHEM_PKA_STRONGEST_BASIC>
15.000118806416669

> <JCHEM_POLAR_SURFACE_AREA>
187.88999999999996

> <JCHEM_REFRACTIVITY>
141.7807

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(4Z)-6-[(2R,5R,8R,11R,12S)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       4.113   7.425   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.539   8.008   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.746   9.534   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.756   7.065   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       7.232   8.530   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       8.772   8.530   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       9.677   9.776   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       9.248   7.065   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.030   6.122   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.020   6.901   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.336   6.102   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.686   6.843   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.720   8.383   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      16.070   9.123   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.103  10.663   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      17.453  11.404   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      14.787  11.462   0.000  0.00  0.00           O+0
HETATM   19  N   UNK     0      10.669   4.620   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0       8.002   1.540   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.295   5.257   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0       5.335   4.620   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       3.985   6.901   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   37                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   19                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   10   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   31                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   30                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   24                                                       
CONECT   31   22   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36    4   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₈N₄O₇

Average Mass

530.6220 Da

Monoisotopic Mass

530.27405 Da

IUPAC Name

(4Z)-6-[(2R,5R,8R,11R,12S)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-5,12-dimethyl-2-(propan-2-yl)-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid

Traditional Name

(4Z)-6-[(2R,5R,8R,11R,12S)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid

CAS Registry Number

Not Available

SMILES

CC(C)[C@H]1N=C(O)[C@@H](C)[C@@H](C\C=C/CCC(O)=O)N=C(O)[C@@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H](C)N=C1O

InChI Identifier

InChI=1S/C27H38N4O7/c1-15(2)23-27(38)28-17(4)25(36)30-21(14-18-10-12-19(32)13-11-18)26(37)29-20(16(3)24(35)31-23)8-6-5-7-9-22(33)34/h5-6,10-13,15-17,20-21,23,32H,7-9,14H2,1-4H3,(H,28,38)(H,29,37)(H,30,36)(H,31,35)(H,33,34)/b6-5-/t16-,17+,20+,21+,23+/m0/s1

InChI Key

QKNOLJBQLJGNKI-LFUPQXEOSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Hybrid peptides

Direct Parent

Hybrid peptides

Alternative Parents

Substituents

Cyclic hybrid peptide
Alpha-oligopeptide
Macrolactam
Beta amino acid or derivatives
Alpha-amino acid or derivatives
Medium-chain fatty acid
1-hydroxy-2-unsubstituted benzenoid
Amino fatty acid
Hydroxy fatty acid
Heterocyclic fatty acid
Phenol
Monocyclic benzene moiety
Fatty acyl
Unsaturated fatty acid
Benzenoid
Fatty acid
Carboxamide group
Lactam
Secondary carboxylic acid amide
Carboxylic acid derivative
Carboxylic acid
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic oxide
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	-0.6	ChemAxon
pKa (Strongest Acidic)	-6.4	ChemAxon
pKa (Strongest Basic)	15	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	187.89 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	141.78 m³·mol⁻¹	ChemAxon
Polarizability	55.34 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

10481686

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16095114

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (4z)-6-[(2r,5r,8r,11r,12s)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid (NP0272235)

MOL for NP0272235 ((4z)-6-[(2r,5r,8r,11r,12s)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid)

3D MOL for NP0272235 ((4z)-6-[(2r,5r,8r,11r,12s)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid)

3D SDF for NP0272235 ((4z)-6-[(2r,5r,8r,11r,12s)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid)

3D-SDF for NP0272235 ((4z)-6-[(2r,5r,8r,11r,12s)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid)

PDB for NP0272235 ((4z)-6-[(2r,5r,8r,11r,12s)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid)

3D PDB for NP0272235 ((4z)-6-[(2r,5r,8r,11r,12s)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid)

SMILES for NP0272235 ((4z)-6-[(2r,5r,8r,11r,12s)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid)

INCHI for NP0272235 ((4z)-6-[(2r,5r,8r,11r,12s)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid)

Structure for NP0272235 ((4z)-6-[(2r,5r,8r,11r,12s)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid)

3D Structure for NP0272235 ((4z)-6-[(2r,5r,8r,11r,12s)-3,6,9,13-tetrahydroxy-8-[(4-hydroxyphenyl)methyl]-2-isopropyl-5,12-dimethyl-1,4,7,10-tetraazacyclotrideca-1(13),3,6,9-tetraen-11-yl]hex-4-enoic acid)