NP-MRD: Showing NP-Card for (3s,6s,9s,12s,15r,18r,21r)-18-[(2s)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione (NP0188706)

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Record Information

Version

2.0

Created at

2022-09-04 05:04:57 UTC

Updated at

2022-09-04 05:04:57 UTC

NP-MRD ID

NP0188706

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,6s,9s,12s,15r,18r,21r)-18-[(2s)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione

Description

CHEMBL500467 belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on CHEMBL500467.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042207042D          

 58 60  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


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M  END
> <DATABASE_ID>
NP0188706

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C42H65N7O9/c1-13-26(8)35-39(53)44-33(24(4)5)38(52)45-34(25(6)7)42(56)49(12)31(19-28-14-16-57-21-28)36(50)43-30(18-23(2)3)41(55)47(10)27(9)40(54)48(11)32(37(51)46-35)20-29-15-17-58-22-29/h14-17,21-27,30-35H,13,18-20H2,1-12H3,(H,43,50)(H,44,53)(H,45,52)(H,46,51)/t26-,27-,30-,31-,32+,33+,34-,35+/m0/s1

> <INCHI_KEY>
MHYASXKHPXOUMD-ZVIUBLJRSA-N

> <FORMULA>
C42H65N7O9

> <MOLECULAR_WEIGHT>
812.022

> <EXACT_MASS>
811.484376701

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
123

> <JCHEM_AVERAGE_POLARIZABILITY>
86.87016805125474

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,6S,9S,12S,15R,18R,21R)-18-[(2S)-butan-2-yl]-9,21-bis[(furan-3-yl)methyl]-8,14,17,20-tetrahydroxy-1,3,4,10-tetramethyl-6-(2-methylpropyl)-12,15-bis(propan-2-yl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione

> <JCHEM_LOGP>
6.148119985000001

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.8669678397368514

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3539237095617813

> <JCHEM_PKA_STRONGEST_BASIC>
1.6412805133577704

> <JCHEM_POLAR_SURFACE_AREA>
217.56999999999996

> <JCHEM_REFRACTIVITY>
217.38490000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S,6S,9S,12S,15R,18R,21R)-18-[(2S)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0     -11.415   1.394   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -9.981   0.832   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.777   1.792   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.344   1.229   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.007   3.315   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -7.803   4.275   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -6.469   3.505   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -6.469   1.965   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -5.136   4.275   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.802   3.505   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.802   1.965   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.556   1.060   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.032  -0.405   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -4.572  -0.405   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -5.048   1.060   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      -5.136   5.815   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -6.408   6.683   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.702   6.378   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -2.498   5.417   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -3.472   7.900   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.039   8.463   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      -4.676   8.861   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      -6.148   8.407   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.223  10.332   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -2.721  10.675   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -5.270  11.461   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.816  12.933   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -3.315  13.275   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.861  14.747   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.267  12.146   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      -6.771  11.118   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      -7.639  12.391   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -6.971  13.778   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -9.175  12.276   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -10.042  13.548   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -9.374  14.936   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -10.104  16.292   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -9.039  17.405   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -7.652  16.737   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -7.859  15.211   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0      -9.843  10.888   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0      -9.073   9.555   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0     -11.378  11.003   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0     -12.047  12.391   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0     -12.246   9.731   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0     -13.782   9.846   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0     -14.649   8.574   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0     -14.450  11.233   0.000  0.00  0.00           C+0
HETATM   49  N   UNK     0     -11.578   8.343   0.000  0.00  0.00           N+0
HETATM   50  C   UNK     0     -12.625   7.215   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0     -14.127   7.557   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0     -12.171   5.743   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0     -13.219   4.614   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0     -12.765   3.142   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0     -14.720   4.957   0.000  0.00  0.00           C+0
HETATM   56  N   UNK     0     -10.670   5.400   0.000  0.00  0.00           N+0
HETATM   57  C   UNK     0     -10.440   3.877   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0     -11.644   2.917   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   57                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   16                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   15                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   11                                                       
CONECT   16    9   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   26   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   41                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   40                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   36                                                       
CONECT   41   34   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46   49                                                  
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46                                                            
CONECT   49   45   50                                                       
CONECT   50   49   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50   53   56                                                  
CONECT   53   52   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53                                                            
CONECT   56   52   57                                                       
CONECT   57   56    5   58                                                  
CONECT   58   57                                                            
MASTER        0    0    0    0    0    0    0    0   58    0  120    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₂H₆₅N₇O₉

Average Mass

812.0220 Da

Monoisotopic Mass

811.48438 Da

IUPAC Name

(3S,6S,9S,12S,15R,18R,21R)-18-[(2S)-butan-2-yl]-9,21-bis[(furan-3-yl)methyl]-8,14,17,20-tetrahydroxy-1,3,4,10-tetramethyl-6-(2-methylpropyl)-12,15-bis(propan-2-yl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione

Traditional Name

(3S,6S,9S,12S,15R,18R,21R)-18-[(2S)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione

CAS Registry Number

Not Available

SMILES

CC[C@H](C)[C@H]1N=C(O)[C@@H](CC2=COC=C2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)N=C(O)[C@H](CC2=COC=C2)N(C)C(=O)[C@@H](N=C(O)[C@H](N=C1O)C(C)C)C(C)C

InChI Identifier

InChI=1S/C42H65N7O9/c1-13-26(8)35-39(53)44-33(24(4)5)38(52)45-34(25(6)7)42(56)49(12)31(19-28-14-16-57-21-28)36(50)43-30(18-23(2)3)41(55)47(10)27(9)40(54)48(11)32(37(51)46-35)20-29-15-17-58-22-29/h14-17,21-27,30-35H,13,18-20H2,1-12H3,(H,43,50)(H,44,53)(H,45,52)(H,46,51)/t26-,27-,30-,31-,32+,33+,34-,35+/m0/s1

InChI Key

MHYASXKHPXOUMD-ZVIUBLJRSA-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 oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Macrolactam
Alpha-amino acid or derivatives
Furan
Tertiary carboxylic acid amide
Heteroaromatic compound
Carboxamide group
Lactam
Secondary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Oxacycle
Hydrocarbon derivative
Carbonyl group
Organooxygen compound
Organonitrogen compound
Organic oxide
Organic oxygen compound
Organic nitrogen 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	6.15	ChemAxon
pKa (Strongest Acidic)	3.35	ChemAxon
pKa (Strongest Basic)	1.64	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	217.57 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	217.38 m³·mol⁻¹	ChemAxon
Polarizability	86.87 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

10313331

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21725816

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3s,6s,9s,12s,15r,18r,21r)-18-[(2s)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione (NP0188706)

MOL for NP0188706 ((3s,6s,9s,12s,15r,18r,21r)-18-[(2s)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione)

3D MOL for NP0188706 ((3s,6s,9s,12s,15r,18r,21r)-18-[(2s)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione)

3D SDF for NP0188706 ((3s,6s,9s,12s,15r,18r,21r)-18-[(2s)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione)

3D-SDF for NP0188706 ((3s,6s,9s,12s,15r,18r,21r)-18-[(2s)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione)

PDB for NP0188706 ((3s,6s,9s,12s,15r,18r,21r)-18-[(2s)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione)

3D PDB for NP0188706 ((3s,6s,9s,12s,15r,18r,21r)-18-[(2s)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione)

SMILES for NP0188706 ((3s,6s,9s,12s,15r,18r,21r)-18-[(2s)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione)

INCHI for NP0188706 ((3s,6s,9s,12s,15r,18r,21r)-18-[(2s)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione)

Structure for NP0188706 ((3s,6s,9s,12s,15r,18r,21r)-18-[(2s)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione)

3D Structure for NP0188706 ((3s,6s,9s,12s,15r,18r,21r)-18-[(2s)-butan-2-yl]-9,21-bis(furan-3-ylmethyl)-8,14,17,20-tetrahydroxy-12,15-diisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,13,16,19-tetraene-2,5,11-trione)