NP-MRD: Showing NP-Card for Cyclocinamide B (NP0076381)

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Record Information

Version

2.0

Created at

2022-04-28 21:31:17 UTC

Updated at

2022-04-28 21:31:17 UTC

NP-MRD ID

NP0076381

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Cyclocinamide B

Description

Cyclocinamide B belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Cyclocinamide B is found in Corticium sp. Cyclocinamide B was first documented in 2007 (PMID: 17391049). Based on a literature review very few articles have been published on cyclocinamide B (PMID: 26120208).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282223312D          

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M  END

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    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8984    0.3356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4504   -0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0379   -0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2309   -0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3735   -1.7457    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2709   -0.1913    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0699    1.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8984    2.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4504    2.7525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0379    3.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2309    3.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6789    3.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9339    4.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7408    4.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2929    4.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3818    5.3063    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8019    2.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 10 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  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
 30 34  2  0  0  0  0
 33 35  1  0  0  0  0
 32 36  1  0  0  0  0
 31 37  1  0  0  0  0
  5 38  1  6  0  0  0
 38 39  1  0  0  0  0
 39 40  2  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
 39 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 42 47  2  0  0  0  0
 45 48  1  0  0  0  0
  1 49  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0076381

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1C(Cl)=C(Cl)C=C1C(=O)NCC(=O)N[C@H]1CNC(=O)[C@@H](CC2=CNC3=CC=C(Br)C=C23)NC(=O)[C@@H](O)CNC(=O)[C@@H](CC(N)=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H32BrCl2N9O8/c1-41-20(6-15(31)24(41)32)28(48)37-11-23(44)38-19-9-35-25(45)17(4-12-8-34-16-3-2-13(30)5-14(12)16)40-29(49)21(42)10-36-26(46)18(7-22(33)43)39-27(19)47/h2-3,5-6,8,17-19,21,34,42H,4,7,9-11H2,1H3,(H2,33,43)(H,35,45)(H,36,46)(H,37,48)(H,38,44)(H,39,47)(H,40,49)/t17-,18-,19+,21+/m1/s1

> <INCHI_KEY>
NQEPESITNWAAHG-BNDYYXHWSA-N

> <FORMULA>
C29H32BrCl2N9O8

> <MOLECULAR_WEIGHT>
785.43

> <EXACT_MASS>
783.093427

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
70.71938205943299

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(3R,6S,10R,13S)-10-[(5-bromo-1H-indol-3-yl)methyl]-3-(carbamoylmethyl)-13-hydroxy-2,5,9,12-tetraoxo-1,4,8,11-tetraazacyclotetradecan-6-yl]-2-[(4,5-dichloro-1-methyl-1H-pyrrol-2-yl)formamido]acetamide

> <ALOGPS_LOGP>
1.27

> <JCHEM_LOGP>
-2.5572921449999986

> <ALOGPS_LOGS>
-4.47

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.969722963949579

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.424697872191373

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7603744475817793

> <JCHEM_POLAR_SURFACE_AREA>
258.64

> <JCHEM_REFRACTIVITY>
177.18189999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.64e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[(3R,6S,10R,13S)-10-[(5-bromo-1H-indol-3-yl)methyl]-3-(carbamoylmethyl)-13-hydroxy-2,5,9,12-tetraoxo-1,4,8,11-tetraazacyclotetradecan-6-yl]-2-[(4,5-dichloro-1-methylpyrrol-2-yl)formamido]acetamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       9.336   8.470   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0      10.669   6.160   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       9.336   2.310   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0       4.001   2.310   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0       5.335   6.160   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0      -0.000   4.620   0.000  0.00  0.00           N+0
HETATM   23  N   UNK     0       6.668   0.770   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.002  -1.540   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       9.336   0.770   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      10.669  -0.000   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      12.003   0.770   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      13.337  -0.000   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      14.744   0.626   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      15.774  -0.518   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      15.004  -1.852   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.498  -1.532   0.000  0.00  0.00           C+0
HETATM   35 Cl   UNK     0      15.630  -3.259   0.000  0.00  0.00          Cl+0
HETATM   36 Cl   UNK     0      17.306  -0.357   0.000  0.00  0.00          Cl+0
HETATM   37  C   UNK     0      15.064   2.133   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      14.744   3.994   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0      15.774   5.138   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0      15.004   6.472   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      13.498   6.152   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      12.467   7.296   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      12.943   8.761   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      14.450   9.081   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      15.480   7.936   0.000  0.00  0.00           C+0
HETATM   48 Br   UNK     0      11.913   9.905   0.000  0.00  0.00          Br+0
HETATM   49  O   UNK     0       7.097   4.914   0.000  0.00  0.00           O+0
CONECT    1    2   18   49                                                  
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   38                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   23                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17    1                                                       
CONECT   19   14   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   10   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   34                                                  
CONECT   31   30   32   37                                                  
CONECT   32   31   33   36                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33   30                                                       
CONECT   35   33                                                            
CONECT   36   32                                                            
CONECT   37   31                                                            
CONECT   38    5   39                                                       
CONECT   39   38   40   43                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   47                                                  
CONECT   43   42   39   44                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46   48                                                  
CONECT   46   45   47                                                       
CONECT   47   46   42                                                       
CONECT   48   45                                                            
CONECT   49    1                                                            
MASTER        0    0    0    0    0    0    0    0   49    0  104    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₃₂BrCl₂N₉O₈

Average Mass

785.4300 Da

Monoisotopic Mass

783.09343 Da

IUPAC Name

N-[(3R,6S,10R,13S)-10-[(5-bromo-1H-indol-3-yl)methyl]-3-(carbamoylmethyl)-13-hydroxy-2,5,9,12-tetraoxo-1,4,8,11-tetraazacyclotetradecan-6-yl]-2-[(4,5-dichloro-1-methyl-1H-pyrrol-2-yl)formamido]acetamide

Traditional Name

N-[(3R,6S,10R,13S)-10-[(5-bromo-1H-indol-3-yl)methyl]-3-(carbamoylmethyl)-13-hydroxy-2,5,9,12-tetraoxo-1,4,8,11-tetraazacyclotetradecan-6-yl]-2-[(4,5-dichloro-1-methylpyrrol-2-yl)formamido]acetamide

CAS Registry Number

Not Available

SMILES

CN1C(Cl)=C(Cl)C=C1C(=O)NCC(=O)N[C@H]1CNC(=O)[C@@H](CC2=CNC3=CC=C(Br)C=C23)NC(=O)[C@@H](O)CNC(=O)[C@@H](CC(N)=O)NC1=O

InChI Identifier

InChI=1S/C29H32BrCl2N9O8/c1-41-20(6-15(31)24(41)32)28(48)37-11-23(44)38-19-9-35-25(45)17(4-12-8-34-16-3-2-13(30)5-14(12)16)40-29(49)21(42)10-36-26(46)18(7-22(33)43)39-27(19)47/h2-3,5-6,8,17-19,21,34,42H,4,7,9-11H2,1H3,(H2,33,43)(H,35,45)(H,36,46)(H,37,48)(H,38,44)(H,39,47)(H,40,49)/t17-,18-,19+,21+/m1/s1

InChI Key

NQEPESITNWAAHG-BNDYYXHWSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Corticium sp. (in: Fungi)	Fungi	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Hybrid peptides

Direct Parent

Hybrid peptides

Alternative Parents

Substituents

Cyclic hybrid peptide
Alpha-oligopeptide
N-acyl-alpha amino acid or derivatives
Macrolactam
Alpha-amino acid amide
Beta amino acid or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
3-alkylindole
Indole or derivatives
Indole
2-heteroaryl carboxamide
Pyrrole-2-carboxamide
Pyrrole-2-carboxylic acid or derivatives
N-methylpyrrole
Aryl bromide
Substituted pyrrole
Benzenoid
Aryl halide
Aryl chloride
Pyrrole
Heteroaromatic compound
Carboxamide group
Secondary carboxylic acid amide
Secondary alcohol
Primary carboxylic acid amide
Lactam
Carboxylic acid derivative
Organoheterocyclic compound
Azacycle
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Organobromide
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	1.27	ALOGPS
logP	-2.6	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	10.42	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	258.64 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	177.18 m³·mol⁻¹	ChemAxon
Polarizability	70.72 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	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

C00038890

Chemspider ID

17612675

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16679811

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Curzon SS, Garcia JM, Konopelski JP: Total Synthesis of Nominal Cyclocinamide B and Investigation into the Identity of the Cyclocinamides. Tetrahedron Lett. 2015 Jun 3;56(23):2991-2994. doi: 10.1016/j.tetlet.2014.09.087. [PubMed:26120208 ]
Laird DW, LaBarbera DV, Feng X, Bugni TS, Harper MK, Ireland CM: Halogenated cyclic peptides isolated from the sponge Corticium sp. J Nat Prod. 2007 May;70(5):741-6. doi: 10.1021/np060489v. Epub 2007 Mar 29. [PubMed:17391049 ]

Showing NP-Card for Cyclocinamide B (NP0076381)

MOL for NP0076381 (Cyclocinamide B)

3D MOL for NP0076381 (Cyclocinamide B)

3D SDF for NP0076381 (Cyclocinamide B)

3D-SDF for NP0076381 (Cyclocinamide B)

PDB for NP0076381 (Cyclocinamide B)

3D PDB for NP0076381 (Cyclocinamide B)

SMILES for NP0076381 (Cyclocinamide B)

INCHI for NP0076381 (Cyclocinamide B)

Structure for NP0076381 (Cyclocinamide B)

3D Structure for NP0076381 (Cyclocinamide B)