NP-MRD: Showing NP-Card for (3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one (NP0277990)

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Record Information

Version

2.0

Created at

2022-09-09 02:51:46 UTC

Updated at

2022-09-09 02:51:47 UTC

NP-MRD ID

NP0277990

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one

Description

Dihydromaltophilin belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. (3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one was first documented in 2007 (PMID: 17074795). Based on a literature review a significant number of articles have been published on Dihydromaltophilin (PMID: 34204563) (PMID: 21930890) (PMID: 33012119) (PMID: 24890524) (PMID: 21462551) (PMID: 18944294).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092204512D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309092204512D          

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    7.3336    0.6221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9257    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7193    0.9711    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3114    1.5456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9208    0.1711    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6502   -0.2145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4669   -0.0977    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8524    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7638   -0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5574   -1.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  4  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  4  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
  8 28  1  0  0  0  0
 28 29  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 32  7  1  1  0  0  0
 33 32  1  6  0  0  0
  5 33  1  0  0  0  0
 33 34  1  0  0  0  0
  3 34  1  0  0  0  0
 34 35  1  1  0  0  0
 23 36  1  0  0  0  0
 19 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0277990

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H]1C[C@@H]2C[C@H]3[C@H]([C@@H]2[C@H]1C)[C@@H](O)C[C@H]1\C=C\C(O)=C2C(O)=NC(C(O)CCN=C(O)\C=C/C[C@H]31)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H40N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21-22,24-25,27,32-34H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+,26-20?/t14-,15-,16+,17+,18-,19+,21?,22-,24+,25-,27?/m0/s1

> <INCHI_KEY>
VYCDZNHSSDXACI-SGXRADKASA-N

> <FORMULA>
C29H40N2O6

> <MOLECULAR_WEIGHT>
512.647

> <EXACT_MASS>
512.288637016

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
57.180167874876766

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3E,5S,7S,8R,9S,10S,11S,13R,15R,16S,18Z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0^{5,16}.0^{8,15}.0^{9,13}]octacosa-1,3,18,20,26-pentaen-28-one

> <JCHEM_LOGP>
1.4392947044246625

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.834887296950687

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.820147295019121

> <JCHEM_PKA_STRONGEST_BASIC>
6.639583149275235

> <JCHEM_POLAR_SURFACE_AREA>
142.94000000000003

> <JCHEM_REFRACTIVITY>
142.6709

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3E,5S,7S,8R,9S,10S,11S,13R,15R,16S,18Z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0^{5,16}.0^{8,15}.0^{9,13}]octacosa-1,3,18,20,26-pentaen-28-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      22.721  -0.647   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      21.734  -1.829   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      20.217  -1.565   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      19.111  -2.637   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.750  -1.918   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      16.449  -1.762   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.108  -1.088   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.066  -0.332   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.547  -0.753   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      15.923  -2.246   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.818  -3.319   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.337  -2.898   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      12.960  -1.405   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0      12.231  -3.970   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      10.750  -3.549   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.645  -4.622   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.163  -4.201   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.058  -5.273   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       7.787  -2.708   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       6.508  -1.850   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       6.929  -0.368   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.916   0.792   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       8.516  -0.142   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.622   0.931   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       9.245   2.424   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      11.103   0.510   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.208   1.582   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.689   1.161   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      14.795   2.234   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      16.276   1.813   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      17.381   2.885   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      16.652   0.319   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      18.014  -0.400   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      19.538  -0.182   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      20.258   1.179   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.892  -1.635   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      10.374  -2.056   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   34                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   33                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   32                                                  
CONECT    8    7    9   28                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   36                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   36                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27    8   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30    7   33                                                  
CONECT   33   32    5   34                                                  
CONECT   34   33    3   35                                                  
CONECT   35   34                                                            
CONECT   36   23   19   37                                                  
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₄₀N₂O₆

Average Mass

512.6470 Da

Monoisotopic Mass

512.28864 Da

IUPAC Name

(3E,5S,7S,8R,9S,10S,11S,13R,15R,16S,18Z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0^{5,16}.0^{8,15}.0^{9,13}]octacosa-1,3,18,20,26-pentaen-28-one

Traditional Name

(3E,5S,7S,8R,9S,10S,11S,13R,15R,16S,18Z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0^{5,16}.0^{8,15}.0^{9,13}]octacosa-1,3,18,20,26-pentaen-28-one

CAS Registry Number

Not Available

SMILES

CC[C@H]1C[C@@H]2C[C@H]3[C@H]([C@@H]2[C@H]1C)[C@@H](O)C[C@H]1\C=C\C(O)=C2C(O)=NC(C(O)CCN=C(O)\C=C/C[C@H]31)C2=O

InChI Identifier

InChI=1S/C29H40N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21-22,24-25,27,32-34H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+,26-20?/t14-,15-,16+,17+,18-,19+,21?,22-,24+,25-,27?/m0/s1

InChI Key

VYCDZNHSSDXACI-SGXRADKASA-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 macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolactams

Sub Class

Not Available

Direct Parent

Macrolactams

Alternative Parents

Substituents

Macrolactam
Monoterpenoid
3-pyrrolidone
2-pyrrolidone
Pyrrolidone
Vinylogous acid
Pyrrolidine
Cyclic alcohol
Secondary carboxylic acid amide
Secondary alcohol
Lactam
Ketone
Carboxamide group
Azacycle
Organoheterocyclic compound
Polyol
Enol
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	1.44	ChemAxon
pKa (Strongest Acidic)	3.82	ChemAxon
pKa (Strongest Basic)	6.64	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	142.94 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	142.67 m³·mol⁻¹	ChemAxon
Polarizability	57.18 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

C00016412

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Dihydromaltophilin

METLIN ID

Not Available

PubChem Compound

101934630

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Brescia F, Vlassi A, Bejarano A, Seidl B, Marchetti-Deschmann M, Schuhmacher R, Puopolo G: Characterisation of the Antibiotic Profile of Lysobacter capsici AZ78, an Effective Biological Control Agent of Plant Pathogenic Microorganisms. Microorganisms. 2021 Jun 17;9(6). pii: microorganisms9061320. doi: 10.3390/microorganisms9061320. [PubMed:34204563 ]
Zhang W, Li Y, Qian G, Wang Y, Chen H, Li YZ, Liu F, Shen Y, Du L: Identification and characterization of the anti-methicillin-resistant Staphylococcus aureus WAP-8294A2 biosynthetic gene cluster from Lysobacter enzymogenes OH11. Antimicrob Agents Chemother. 2011 Dec;55(12):5581-9. doi: 10.1128/AAC.05370-11. Epub 2011 Sep 19. [PubMed:21930890 ]
Li C, Tang B, Cao S, Bao Y, Sun W, Zhao Y, Liu F: Biocontrol ability and action mechanism of dihydromaltophilin against Colletotrichum fructicola causing anthracnose of pear fruit. Pest Manag Sci. 2021 Feb;77(2):1061-1069. doi: 10.1002/ps.6122. Epub 2020 Oct 19. [PubMed:33012119 ]
Li Y, Chen H, Ding Y, Xie Y, Wang H, Cerny RL, Shen Y, Du L: Iterative assembly of two separate polyketide chains by the same single-module bacterial polyketide synthase in the biosynthesis of HSAF. Angew Chem Int Ed Engl. 2014 Jul 14;53(29):7524-7530. doi: 10.1002/anie.201403500. Epub 2014 May 30. [PubMed:24890524 ]
Li S, Calvo AM, Yuen GY, Du L, Harris SD: Induction of cell wall thickening by the antifungal compound dihydromaltophilin disrupts fungal growth and is mediated by sphingolipid biosynthesis. J Eukaryot Microbiol. 2009 Mar-Apr;56(2):182-7. doi: 10.1111/j.1550-7408.2008.00384.x. [PubMed:21462551 ]
Li S, Jochum CC, Yu F, Zaleta-Rivera K, Du L, Harris SD, Yuen GY: An antibiotic complex from Lysobacter enzymogenes strain C3: antimicrobial activity and role in plant disease control. Phytopathology. 2008 Jun;98(6):695-701. doi: 10.1094/PHYTO-98-6-0695. [PubMed:18944294 ]
Yu F, Zaleta-Rivera K, Zhu X, Huffman J, Millet JC, Harris SD, Yuen G, Li XC, Du L: Structure and biosynthesis of heat-stable antifungal factor (HSAF), a broad-spectrum antimycotic with a novel mode of action. Antimicrob Agents Chemother. 2007 Jan;51(1):64-72. doi: 10.1128/AAC.00931-06. Epub 2006 Oct 30. [PubMed:17074795 ]
LOTUS database [Link]

Showing NP-Card for (3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one (NP0277990)

MOL for NP0277990 ((3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one)

3D MOL for NP0277990 ((3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one)

3D SDF for NP0277990 ((3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one)

3D-SDF for NP0277990 ((3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one)

PDB for NP0277990 ((3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one)

3D PDB for NP0277990 ((3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one)

SMILES for NP0277990 ((3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one)

INCHI for NP0277990 ((3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one)

Structure for NP0277990 ((3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one)

3D Structure for NP0277990 ((3e,5s,7s,8r,9s,10s,11s,13r,15r,16s,18z)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one)