NP-MRD: Showing NP-Card for (3s,6s,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione (NP0223733)

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Record Information

Version

2.0

Created at

2022-09-06 01:54:50 UTC

Updated at

2022-09-06 01:54:50 UTC

NP-MRD ID

NP0223733

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,6s,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione

Description

(3S,6S,15S,21S,24S,27S)-21-benzyl-24-[(2S)-butan-2-yl]-5,14,23,26-tetrahydroxy-3-(2-methylpropyl)-12-(propan-2-yl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]Triaconta-4,13,22,25-tetraene-2,11,20-trione belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone. (3s,6s,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione is found in Prosuberites laughlini. Based on a literature review very few articles have been published on (3S,6S,15S,21S,24S,27S)-21-benzyl-24-[(2S)-butan-2-yl]-5,14,23,26-tetrahydroxy-3-(2-methylpropyl)-12-(propan-2-yl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]Triaconta-4,13,22,25-tetraene-2,11,20-trione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062203542D          

 55 59  0  0  1  0            999 V2000
    6.3285   -0.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3793   -0.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1305    0.6521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5315    1.3731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3492    1.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6629    0.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  9 13  1  1  0  0  0
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 25 26  1  0  0  0  0
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 29 30  2  0  0  0  0
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 32 33  1  0  0  0  0
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 35 31  1  4  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
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M  END

     RDKit          3D

116120  0  0  0  0  0  0  0  0999 V2000
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 34 99  1  0
M  END


  Mrv1652309062203542D          

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    4.5333    5.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7958    5.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  2  0  0  0  0
  7  8  1  4  0  0  0
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 35 31  1  4  0  0  0
 35 36  2  0  0  0  0
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  5 54  1  0  0  0  0
 54 55  1  4  0  0  0
M  END
> <DATABASE_ID>
NP0223733

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N=C(O)[C@@H]2CCCN2C(=O)C(N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C1O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C41H61N7O7/c1-7-26(6)34-38(52)43-29(23-27-14-9-8-10-15-27)40(54)47-20-11-17-31(47)36(50)44-33(25(4)5)41(55)48-21-13-16-30(48)35(49)42-28(22-24(2)3)39(53)46-19-12-18-32(46)37(51)45-34/h8-10,14-15,24-26,28-34H,7,11-13,16-23H2,1-6H3,(H,42,49)(H,43,52)(H,44,50)(H,45,51)/t26-,28-,29-,30-,31-,32-,33?,34-/m0/s1

> <INCHI_KEY>
MRHPZOQSYDFOLJ-HALPOPCSSA-N

> <FORMULA>
C41H61N7O7

> <MOLECULAR_WEIGHT>
763.981

> <EXACT_MASS>
763.463247332

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
116

> <JCHEM_AVERAGE_POLARIZABILITY>
82.1460260904727

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,6S,15S,21S,24S,27S)-21-benzyl-24-[(2S)-butan-2-yl]-5,14,23,26-tetrahydroxy-3-(2-methylpropyl)-12-(propan-2-yl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0^{6,10}.0^{15,19}]triaconta-4,13,22,25-tetraene-2,11,20-trione

> <JCHEM_LOGP>
5.470775891333334

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.174560942838748

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.631702972980175

> <JCHEM_PKA_STRONGEST_BASIC>
1.8318079966817178

> <JCHEM_POLAR_SURFACE_AREA>
191.29

> <JCHEM_REFRACTIVITY>
207.12069999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S,6S,15S,21S,24S,27S)-21-benzyl-24-[(2S)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0^{6,10}.0^{15,19}]triaconta-4,13,22,25-tetraene-2,11,20-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      11.813  -1.474   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.353  -1.450   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.102  -0.104   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      15.641  -0.079   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.310   1.217   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      14.059   2.563   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      15.585   2.358   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      16.171   0.934   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      16.526   3.577   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      18.062   3.694   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      18.425   5.190   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      17.170   5.567   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      15.940   5.002   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      17.052   6.067   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      18.592   6.115   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      16.686   7.563   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      17.798   8.628   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      19.276   8.198   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      19.643   6.702   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      20.388   9.263   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      15.207   7.993   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      15.067   9.527   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      16.326  10.414   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      13.669  10.172   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      13.214  11.644   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.674  11.665   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.094  10.855   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      12.411   9.285   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      11.125  10.132   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      10.736  11.622   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       9.748   9.441   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.462  10.288   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.086   9.598   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.553  11.826   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       9.658   7.904   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0       8.194   7.427   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       7.048   8.456   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       7.875   5.920   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.542   5.149   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       6.864   3.643   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       7.964   3.428   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0       9.021   4.891   0.000  0.00  0.00           N+0
HETATM   43  C   UNK     0       8.481   3.448   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       7.115   2.738   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       9.460   2.260   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       8.921   0.818   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       7.402   0.564   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       6.862  -0.879   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       5.343  -1.133   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       4.364   0.056   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       4.904   1.498   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       6.422   1.752   0.000  0.00  0.00           C+0
HETATM   53  N   UNK     0      10.979   2.514   0.000  0.00  0.00           N+0
HETATM   54  C   UNK     0      11.771   1.193   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      11.022  -0.153   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   54                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   13                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    9   14                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   16   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   28                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   24   29                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   35                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   31   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   42                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   38   43                                                  
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46   53                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   52                                                  
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   47                                                       
CONECT   53   45   54                                                       
CONECT   54   53    5   55                                                  
CONECT   55   54                                                            
MASTER        0    0    0    0    0    0    0    0   55    0  118    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₁H₆₁N₇O₇

Average Mass

763.9810 Da

Monoisotopic Mass

763.46325 Da

IUPAC Name

Traditional Name

(3S,6S,15S,21S,24S,27S)-21-benzyl-24-[(2S)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0^{6,10}.0^{15,19}]triaconta-4,13,22,25-tetraene-2,11,20-trione

CAS Registry Number

Not Available

SMILES

CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N=C(O)[C@@H]2CCCN2C(=O)C(N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C1O)C(C)C

InChI Identifier

InChI=1S/C41H61N7O7/c1-7-26(6)34-38(52)43-29(23-27-14-9-8-10-15-27)40(54)47-20-11-17-31(47)36(50)44-33(25(4)5)41(55)48-21-13-16-30(48)35(49)42-28(22-24(2)3)39(53)46-19-12-18-32(46)37(51)45-34/h8-10,14-15,24-26,28-34H,7,11-13,16-23H2,1-6H3,(H,42,49)(H,43,52)(H,44,50)(H,45,51)/t26-,28-,29-,30-,31-,32-,33?,34-/m0/s1

InChI Key

MRHPZOQSYDFOLJ-HALPOPCSSA-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
Prosuberites laughlini	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Cyclic peptides

Alternative Parents

Substituents

Cyclic alpha peptide
Alpha-amino acid or derivatives
Benzenoid
Monocyclic benzene moiety
Cyclic carboximidic acid
Tertiary carboxylic acid amide
Pyrrolidine
Lactam
Carboxamide group
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
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	5.47	ChemAxon
pKa (Strongest Acidic)	3.63	ChemAxon
pKa (Strongest Basic)	1.83	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	191.29 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	207.12 m³·mol⁻¹	ChemAxon
Polarizability	82.15 Å³	ChemAxon
Number of Rings	5	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

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

163193413

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,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione (NP0223733)

MOL for NP0223733 ((3s,6s,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione)

3D MOL for NP0223733 ((3s,6s,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione)

3D SDF for NP0223733 ((3s,6s,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione)

3D-SDF for NP0223733 ((3s,6s,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione)

PDB for NP0223733 ((3s,6s,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione)

3D PDB for NP0223733 ((3s,6s,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione)

SMILES for NP0223733 ((3s,6s,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione)

INCHI for NP0223733 ((3s,6s,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione)

Structure for NP0223733 ((3s,6s,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione)

3D Structure for NP0223733 ((3s,6s,15s,21s,24s,27s)-21-benzyl-24-[(2s)-butan-2-yl]-5,14,23,26-tetrahydroxy-12-isopropyl-3-(2-methylpropyl)-1,4,10,13,19,22,25-heptaazatetracyclo[25.3.0.0⁶,¹⁰.0¹⁵,¹⁹]triaconta-4,13,22,25-tetraene-2,11,20-trione)