NP-MRD: Showing NP-Card for 15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione (NP0225463)

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Record Information

Version

2.0

Created at

2022-09-06 04:11:30 UTC

Updated at

2022-09-06 04:11:30 UTC

NP-MRD ID

NP0225463

Secondary Accession Numbers

None

Natural Product Identification

Common Name

15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione

Description

15-Amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]Henicosa-1(21),6,8,18-tetraene-5,13-dione belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. 15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione is found in Mycale hentscheli. 15-Amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]Henicosa-1(21),6,8,18-tetraene-5,13-dione is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161502332D          

 39 40  0  0  0  0            999 V2000
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 32 38  1  0  0  0  0
  4 39  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004161502332D          

 39 40  0  0  0  0            999 V2000
    9.7482   -0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4216    1.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3962    0.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9995    0.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8139    1.6035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7885    0.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3918    1.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2062    1.9251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1808    0.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7464   -3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1431   -3.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3541   -3.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3287   -4.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7254   -5.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9110   -6.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3077   -6.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4933   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8899   -7.9621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0756   -8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1010   -7.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -6.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3531   -1.9109    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  4  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  2 26  1  0  0  0  0
 27 11  1  4  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 30 28  1  4  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  4  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 32 38  1  0  0  0  0
  4 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0225463

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CC(C)=CC=CC(=O)OC(CC2=NC(=CS2)C(C)CC(N)CC(=O)O1)C=C(C)C=CC(C)=CCN(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3

> <INCHI_KEY>
DSPNTLCJTJBXTD-UHFFFAOYSA-N

> <FORMULA>
C31H45N3O4S

> <MOLECULAR_WEIGHT>
555.78

> <EXACT_MASS>
555.313078115

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
62.492768698114844

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione

> <ALOGPS_LOGP>
5.08

> <JCHEM_LOGP>
5.049212721666666

> <ALOGPS_LOGS>
-5.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
9.505497931096471

> <JCHEM_POLAR_SURFACE_AREA>
94.75

> <JCHEM_REFRACTIVITY>
163.2817

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.37e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0      18.197  -0.870   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      19.454   0.019   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      20.716  -0.864   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      20.266  -2.337   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      18.726  -2.364   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      17.445  -3.459   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      15.972  -3.009   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.846  -4.059   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      15.192  -5.560   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      13.373  -3.609   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      12.247  -4.659   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.774  -4.209   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.428  -2.709   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      11.554  -1.658   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      11.207  -0.158   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.616  -0.353   0.000  0.00  0.00           C+0
HETATM   17  S   UNK     0       9.166  -1.825   0.000  0.00  0.00           S+0
HETATM   18  C   UNK     0      12.333   0.893   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.987   2.393   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.806   0.442   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      14.932   1.493   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      14.586   2.993   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      16.405   1.043   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.531   2.093   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      17.185   3.593   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      19.004   1.643   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      12.593  -6.160   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.467  -7.210   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.994  -6.760   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.814  -8.711   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.687  -9.761   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.034 -11.261   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.908 -12.312   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      10.254 -13.812   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       9.128 -14.863   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0       9.474 -16.363   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.655 -14.413   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      12.507 -11.712   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      21.192  -3.567   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   26                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   39                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   27                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16   13                                                       
CONECT   18   15   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24    2                                                       
CONECT   27   11   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   38                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   32                                                            
CONECT   39    4                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₄₅N₃O₄S

Average Mass

555.7800 Da

Monoisotopic Mass

555.31308 Da

IUPAC Name

15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione

Traditional Name

15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione

CAS Registry Number

Not Available

SMILES

CC1CC(C)=CC=CC(=O)OC(CC2=NC(=CS2)C(C)CC(N)CC(=O)O1)C=C(C)C=CC(C)=CCN(C)C

InChI Identifier

InChI=1S/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3

InChI Key

DSPNTLCJTJBXTD-UHFFFAOYSA-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
Mycale hentscheli	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Aralkylamine
Dicarboxylic acid or derivatives
Azole
Thiazole
Heteroaromatic compound
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Amino acid or derivatives
Carboxylic acid ester
Lactone
Tertiary amine
Tertiary aliphatic amine
Carboxylic acid derivative
Oxacycle
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxide
Organic oxygen compound
Amine
Hydrocarbon derivative
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	5.08	ALOGPS
logP	5.05	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Basic)	9.51	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	94.75 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	163.28 m³·mol⁻¹	ChemAxon
Polarizability	62.49 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

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

72759145

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione (NP0225463)

MOL for NP0225463 (15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione)

3D MOL for NP0225463 (15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione)

3D SDF for NP0225463 (15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione)

3D-SDF for NP0225463 (15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione)

PDB for NP0225463 (15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione)

3D PDB for NP0225463 (15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione)

SMILES for NP0225463 (15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione)

INCHI for NP0225463 (15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione)

Structure for NP0225463 (15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione)

3D Structure for NP0225463 (15-amino-3-[7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione)