NP-MRD: Showing NP-Card for (2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid (NP0205313)

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Record Information

Version

2.0

Created at

2022-09-05 01:11:44 UTC

Updated at

2022-09-05 01:11:44 UTC

NP-MRD ID

NP0205313

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid

Description

Safracin A belongs to the class of organic compounds known as benzazocines. These are organic compounds containing the benzazocine ring system, which consists of a benzene ring bound to an azocine ring. (2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid is found in Pseudomonas fluorescens. Based on a literature review very few articles have been published on Safracin A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052203112D          

 38 42  0  0  1  0            999 V2000
    8.8945    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 36  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309052203112D          

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    3.8251    1.3930    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5434    1.7988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1212    1.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620    2.4957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6832    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  1  0  0  0
 14 13  1  4  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  1  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  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  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 24 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 20  1  1  0  0  0
 35 36  1  0  0  0  0
  8 36  1  0  0  0  0
 34 37  1  6  0  0  0
 22 37  1  6  0  0  0
 37 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0205313

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(C)C=C2C[C@H]3CN4[C@@H](CC5=C([C@@H]4CN=C(O)[C@H](C)N)C(=O)C(OC)=C(C)C5=O)[C@H](N3C)C2=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C28H36N4O6/c1-12-7-15-8-16-11-32-18(22(31(16)4)20(15)24(34)26(12)37-5)9-17-21(19(32)10-30-28(36)14(3)29)25(35)27(38-6)13(2)23(17)33/h7,14,16,18-19,22,34H,8-11,29H2,1-6H3,(H,30,36)/t14-,16-,18-,19-,22-/m0/s1

> <INCHI_KEY>
AZDDAJXLYMVMAW-FKTFMUQYSA-N

> <FORMULA>
C28H36N4O6

> <MOLECULAR_WEIGHT>
524.618

> <EXACT_MASS>
524.263484895

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
55.376785188292374

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-N-{[(1R,2S,10R,13S)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid

> <JCHEM_LOGP>
-0.17123804918622715

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
9.568996441373118

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7620417182976365

> <JCHEM_PKA_STRONGEST_BASIC>
8.9495311988572

> <JCHEM_POLAR_SURFACE_AREA>
137.92000000000002

> <JCHEM_REFRACTIVITY>
144.49589999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-amino-N-{[(1R,2S,10R,13S)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      16.603   2.697   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      15.525   3.797   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      14.033   3.412   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.621   1.928   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.699   0.829   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.129   1.544   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      11.717   0.060   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      11.051   2.643   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.463   4.127   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.955   4.511   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      13.367   5.995   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      10.385   5.226   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.797   6.710   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       9.719   7.809   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      10.131   9.292   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.053  10.392   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      11.623   9.677   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.701   8.578   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      12.035  11.161   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0       8.894   4.841   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       8.136   6.182   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.653   6.595   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.312   5.838   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.899   4.354   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.359   4.368   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.577   3.042   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.037   3.057   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.334   1.701   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.551   0.375   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.011   0.389   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.874   1.687   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       5.631   0.346   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       5.656   3.013   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.140   2.600   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.481   3.358   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       9.560   2.259   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0       7.396   4.659   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0       8.742   3.911   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   36                                                  
CONECT    9    8   10   12                                                  
CONECT   10    9    3   11                                                  
CONECT   11   10                                                            
CONECT   12    9   13   20                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   12   21   35                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   37                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   33                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   24   34                                                  
CONECT   34   33   35   37                                                  
CONECT   35   34   20   36                                                  
CONECT   36   35    8                                                       
CONECT   37   34   22   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₆N₄O₆

Average Mass

524.6180 Da

Monoisotopic Mass

524.26348 Da

IUPAC Name

(2S)-2-amino-N-{[(1R,2S,10R,13S)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=C(C)C=C2C[C@H]3CN4[C@@H](CC5=C([C@@H]4CN=C(O)[C@H](C)N)C(=O)C(OC)=C(C)C5=O)[C@H](N3C)C2=C1O

InChI Identifier

InChI=1S/C28H36N4O6/c1-12-7-15-8-16-11-32-18(22(31(16)4)20(15)24(34)26(12)37-5)9-17-21(19(32)10-30-28(36)14(3)29)25(35)27(38-6)13(2)23(17)33/h7,14,16,18-19,22,34H,8-11,29H2,1-6H3,(H,30,36)/t14-,16-,18-,19-,22-/m0/s1

InChI Key

AZDDAJXLYMVMAW-FKTFMUQYSA-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
Pseudomonas fluorescens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzazocines. These are organic compounds containing the benzazocine ring system, which consists of a benzene ring bound to an azocine ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzazocines

Direct Parent

Benzazocines

Alternative Parents

Substituents

Benzazocine
Isoquinoline quinone
Isoquinolone
Tetrahydroisoquinoline
Anisole
1-hydroxy-4-unsubstituted benzenoid
Aralkylamine
N-alkylpiperazine
N-methylpiperazine
Alkyl aryl ether
Piperazine
1,4-diazinane
Vinylogous ester
Tertiary aliphatic amine
Tertiary amine
Ketone
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Ether
Carboximidic acid derivative
Carboximidic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
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	-0.17	ChemAxon
pKa (Strongest Acidic)	1.76	ChemAxon
pKa (Strongest Basic)	8.95	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	137.92 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	144.5 m³·mol⁻¹	ChemAxon
Polarizability	55.38 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	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

C00018534

Chemspider ID

34980602

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

119025816

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid (NP0205313)

MOL for NP0205313 ((2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid)

3D MOL for NP0205313 ((2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid)

3D SDF for NP0205313 ((2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid)

3D-SDF for NP0205313 ((2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid)

PDB for NP0205313 ((2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid)

3D PDB for NP0205313 ((2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid)

SMILES for NP0205313 ((2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid)

INCHI for NP0205313 ((2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid)

Structure for NP0205313 ((2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid)

3D Structure for NP0205313 ((2s)-2-amino-n-{[(1r,2s,10r,13s)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}propanimidic acid)