NP-MRD: Showing NP-Card for 6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid (NP0253900)

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Record Information

Version

2.0

Created at

2022-09-07 17:54:37 UTC

Updated at

2022-09-07 17:54:37 UTC

NP-MRD ID

NP0253900

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid

Description

6-[19-(Acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]Henicosa-3,8,10-trien-6-yl]-2-aminohexanoic acid belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. 6-[19-(Acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]Henicosa-3,8,10-trien-6-yl]-2-aminohexanoic acid is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241517482D          

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M  END

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M  END


  Mrv1533004241517482D          

 40 44  0  0  0  0            999 V2000
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    2.2422    1.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8297    0.4242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0672    1.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797    1.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867    2.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    1.4727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3729    2.8452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0874    3.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8019    2.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5163    3.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2308    2.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9453    3.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9453    4.0827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6597    2.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3742    3.2577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6597    2.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192    3.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0672    2.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8104    6.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2066    6.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4178    6.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3916    7.3758    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  2 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 25 35  1  0  0  0  0
 35 36  1  0  0  0  0
 14 36  1  0  0  0  0
 22 36  2  0  0  0  0
  9 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0253900

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CCC2C(C)(C)C(CCC22OC3=C(CC12C)C(O)=CC1=C3CN(CCCCC(N)C(O)=O)C1=O)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C31H44N2O7/c1-17-9-10-24-29(3,4)25(39-18(2)34)11-12-31(24)30(17,5)15-20-23(35)14-19-21(26(20)40-31)16-33(27(19)36)13-7-6-8-22(32)28(37)38/h14,17,22,24-25,35H,6-13,15-16,32H2,1-5H3,(H,37,38)

> <INCHI_KEY>
LHSJSAOGNVDOMR-UHFFFAOYSA-N

> <FORMULA>
C31H44N2O7

> <MOLECULAR_WEIGHT>
556.7

> <EXACT_MASS>
556.314851765

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
62.13261603491802

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid

> <ALOGPS_LOGP>
1.54

> <JCHEM_LOGP>
1.5940517279239306

> <ALOGPS_LOGS>
-5.07

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.928448160803516

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7273016726824508

> <JCHEM_PKA_STRONGEST_BASIC>
9.652799944005658

> <JCHEM_POLAR_SURFACE_AREA>
139.39000000000001

> <JCHEM_REFRACTIVITY>
149.01299999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.69e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      -1.205   3.459   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.435   4.793   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.205   6.127   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.435   7.460   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.105   7.460   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.573   9.069   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.035   9.146   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.291  10.584   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.034   9.717   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.069   8.492   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.907   7.441   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.875   6.127   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.415   6.127   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.185   4.793   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.415   3.459   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.875   3.459   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.105   4.793   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.335   3.459   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.185   2.126   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.415   0.792   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.725   2.126   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.495   3.459   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.002   3.779   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       9.146   2.749   0.000  0.00  0.00           O+0
HETATM   25  N   UNK     0       8.163   5.311   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       9.496   6.081   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.830   5.311   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.164   6.081   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.498   5.311   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      14.831   6.081   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      14.831   7.621   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      16.165   5.311   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      17.499   6.081   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      16.165   3.771   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.756   5.937   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.725   4.793   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       3.379  11.218   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       2.252  12.267   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       0.780  11.816   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       2.598  13.768   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   17                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    6   10   37                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    5   13   17                                             
CONECT   13   12   14                                                       
CONECT   14   13   15   36                                                  
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16    2   12   18                                             
CONECT   18   17                                                            
CONECT   19   15   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   36                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   35                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   25   36                                                       
CONECT   36   35   14   22                                                  
CONECT   37    9   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

View in JSmol

Synonyms

Value	Source
6-[19-(Acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0,.0,.0,]henicosa-3,8,10-trien-6-yl]-2-aminohexanoate	Generator
6-[19-(Acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3,8,10-trien-6-yl]-2-aminohexanoate	Generator

Chemical Formula

C₃₁H₄₄N₂O₇

Average Mass

556.7000 Da

Monoisotopic Mass

556.31485 Da

IUPAC Name

6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid

Traditional Name

6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid

CAS Registry Number

Not Available

SMILES

CC1CCC2C(C)(C)C(CCC22OC3=C(CC12C)C(O)=CC1=C3CN(CCCCC(N)C(O)=O)C1=O)OC(C)=O

InChI Identifier

InChI=1S/C31H44N2O7/c1-17-9-10-24-29(3,4)25(39-18(2)34)11-12-31(24)30(17,5)15-20-23(35)14-19-21(26(20)40-31)16-33(27(19)36)13-7-6-8-22(32)28(37)38/h14,17,22,24-25,35H,6-13,15-16,32H2,1-5H3,(H,37,38)

InChI Key

LHSJSAOGNVDOMR-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthenes

Alternative Parents

Substituents

Xanthene
Isoindolone
Alpha-amino acid
Alpha-amino acid or derivatives
Isoindole or derivatives
Isoindoline
Medium-chain fatty acid
Hydroxy fatty acid
Alkyl aryl ether
Amino fatty acid
1-hydroxy-2-unsubstituted benzenoid
Heterocyclic fatty acid
Dicarboxylic acid or derivatives
Fatty acyl
Fatty acid
Benzenoid
Tertiary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Carboxylic acid ester
Amino acid
Lactam
Azacycle
Oxacycle
Carboxylic acid derivative
Ether
Carboxylic acid
Organonitrogen compound
Amine
Organopnictogen compound
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organic oxide
Primary amine
Organooxygen compound
Organic nitrogen compound
Primary aliphatic 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	1.54	ALOGPS
logP	1.59	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	9.65	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	139.39 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	149.01 m³·mol⁻¹	ChemAxon
Polarizability	62.13 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	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

85372409

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid (NP0253900)

MOL for NP0253900 (6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid)

3D MOL for NP0253900 (6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid)

3D SDF for NP0253900 (6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid)

3D-SDF for NP0253900 (6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid)

PDB for NP0253900 (6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid)

3D PDB for NP0253900 (6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid)

SMILES for NP0253900 (6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid)

INCHI for NP0253900 (6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid)

Structure for NP0253900 (6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid)

3D Structure for NP0253900 (6-[19-(acetyloxy)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-6-yl]-2-aminohexanoic acid)