NP-MRD: Showing NP-Card for (3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one (NP0241113)

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Record Information

Version

2.0

Created at

2022-09-07 01:06:06 UTC

Updated at

2022-09-07 01:06:06 UTC

NP-MRD ID

NP0241113

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one

Description

CJ-15208 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. (3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one is found in Ctenomyces serratus. Based on a literature review very few articles have been published on CJ-15208.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072203062D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309072203062D          

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    7.5196   -3.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9799   -3.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5179   -2.8460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6204   -2.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3806   -1.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9628   -1.5293    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0653   -0.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8255   -0.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9281    0.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6883    0.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3459    0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2434   -0.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4832   -0.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2026   -1.8498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3840   -1.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0635   -0.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8859   -2.4049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0638   -2.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763   -3.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5824   -3.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2064   -3.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  4  0  0  0
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 16 24  1  0  0  0  0
 19 24  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  4  0  0  0
 26 28  1  0  0  0  0
 28 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 30 35  1  0  0  0  0
 28 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  4  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
  2 43  1  0  0  0  0
 39 43  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0241113

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=N[C@@H](CC2=CC=CC=C2)C(O)=N[C@@H](CC2=CNC3=CC=CC=C23)C(O)=N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]12

> <INCHI_IDENTIFIER>
InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1

> <INCHI_KEY>
GIZJWWQFOGQPRY-GCXHJFECSA-N

> <FORMULA>
C34H35N5O4

> <MOLECULAR_WEIGHT>
577.685

> <EXACT_MASS>
577.268904627

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
60.39429037892839

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,9S,14aR)-3,9-dibenzyl-1,4,7-trihydroxy-6-[(1H-indol-3-yl)methyl]-3H,6H,9H,10H,12H,13H,14H,14aH-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one

> <JCHEM_LOGP>
3.875821077197161

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
1.9380331427368285

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.7430214573577025

> <JCHEM_PKA_STRONGEST_BASIC>
5.586571312823149

> <JCHEM_POLAR_SURFACE_AREA>
133.87

> <JCHEM_REFRACTIVITY>
163.3873

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S,9S,14aR)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1H-indol-3-ylmethyl)-3H,6H,9H,12H,13H,14H,14aH-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  O   UNK     0       2.508  -8.035   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       3.927  -7.436   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.155  -8.366   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.963  -9.894   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.544 -10.492   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.353 -12.020   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.934 -12.619   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.706 -11.689   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.898 -10.161   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.317  -9.563   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       6.574  -7.768   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       8.102  -7.959   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       8.700  -9.378   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       9.032  -6.732   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.560  -6.923   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.490  -5.695   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.043  -4.222   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      12.307  -3.341   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      13.534  -4.271   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      15.047  -3.981   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.054  -5.146   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.549  -6.601   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.037  -6.891   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.029  -5.726   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       8.433  -5.313   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       8.625  -3.785   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      10.044  -3.186   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.397  -2.855   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.589  -1.327   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.008  -0.728   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.199   0.800   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.618   1.398   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      11.846   0.468   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      11.654  -1.060   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.235  -1.658   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0       5.978  -3.453   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0       4.450  -3.262   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       3.852  -1.843   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       3.520  -4.489   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.986  -4.620   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       1.636  -6.119   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       2.954  -6.916   0.000  0.00  0.00           C+0
HETATM   43  N   UNK     0       4.119  -5.908   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   43                                                  
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    5                                                       
CONECT   11    3   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   25                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   24                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   16   19                                                  
CONECT   25   14   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   36                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   35                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   30                                                       
CONECT   36   28   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   43                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42    2   39                                                  
MASTER        0    0    0    0    0    0    0    0   43    0   96    0
END

View in JSmol

Synonyms

Value	Source
Cyclo(phe-D-pro-phe-TRP)	MeSH

Chemical Formula

C₃₄H₃₅N₅O₄

Average Mass

577.6850 Da

Monoisotopic Mass

577.26890 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

OC1=N[C@@H](CC2=CC=CC=C2)C(O)=N[C@@H](CC2=CNC3=CC=CC=C23)C(O)=N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]12

InChI Identifier

InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1

InChI Key

GIZJWWQFOGQPRY-GCXHJFECSA-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
Ctenomyces serratus	LOTUS Database	35616633

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
Cyclic alpha peptide
Macrolactam
Alpha-amino acid or derivatives
3-alkylindole
Indole
Indole or derivatives
Monocyclic benzene moiety
Substituted pyrrole
Benzenoid
Heteroaromatic compound
Pyrrole
Pyrrolidine
Tertiary carboxylic acid amide
Lactam
Carboxamide group
Secondary carboxylic acid amide
Azacycle
Organoheterocyclic compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen 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

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

24713492

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44583372

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,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one (NP0241113)

MOL for NP0241113 ((3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one)

3D MOL for NP0241113 ((3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one)

3D SDF for NP0241113 ((3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one)

3D-SDF for NP0241113 ((3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one)

PDB for NP0241113 ((3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one)

3D PDB for NP0241113 ((3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one)

SMILES for NP0241113 ((3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one)

INCHI for NP0241113 ((3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one)

Structure for NP0241113 ((3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one)

3D Structure for NP0241113 ((3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one)