NP-MRD: Showing NP-Card for (2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid (NP0189873)

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Record Information

Version

2.0

Created at

2022-09-04 06:26:18 UTC

Updated at

2022-09-04 06:26:18 UTC

NP-MRD ID

NP0189873

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

Description

Microginin 91-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. Based on a literature review very few articles have been published on Microginin 91-B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042208262D          

 40 40  0  0  1  0            999 V2000
    0.3107   -2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038   -2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038   -3.3708    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3107   -3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1182   -3.7833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1182   -4.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038   -5.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3107   -4.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038   -5.8458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1182   -6.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0252   -5.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9502    0.2218    0.0000 O   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  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  2  0  0  0  0
  7  8  1  4  0  0  0
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  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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  5 22  1  0  0  0  0
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 33 37  1  0  0  0  0
 37 38  1  1  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END

     RDKit          3D

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  1  2  1  0
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 40 90  1  0
M  END


  Mrv1652309042208262D          

 40 40  0  0  1  0            999 V2000
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    3.1686   -6.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8831   -5.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5975   -6.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3120   -5.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0265   -6.2583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3120   -5.0208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8327   -3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5472   -3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8327   -2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1182   -2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5472   -2.1333    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2616   -2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2616   -3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9261   -4.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9761   -3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5472   -1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8327   -0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2616   -0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0153   -1.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5673   -0.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1548    0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3479   -0.0753    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7348    0.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9063    1.2837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9502    0.2218    0.0000 O   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  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  2  0  0  0  0
  7  8  1  4  0  0  0
  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  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  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 24  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 33 37  1  0  0  0  0
 37 38  1  1  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0189873

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H](C)[C@H](N=C(O)[C@H](O)[C@H](N)CCCCCCC(Cl)Cl)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H50Cl2N4O6/c1-6-18(4)23(32-25(36)24(35)19(31)12-9-7-8-10-14-22(29)30)27(38)33(5)21(16-17(2)3)26(37)34-15-11-13-20(34)28(39)40/h17-24,35H,6-16,31H2,1-5H3,(H,32,36)(H,39,40)/t18-,19+,20-,21-,23-,24+/m0/s1

> <INCHI_KEY>
JRCJKKSDWXJOMP-ZNNXEISXSA-N

> <FORMULA>
C28H50Cl2N4O6

> <MOLECULAR_WEIGHT>
609.63

> <EXACT_MASS>
608.3107407

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
90

> <JCHEM_AVERAGE_POLARIZABILITY>
65.72109699813959

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-1-[(2S)-2-[(2S,3S)-2-{[(2R,3R)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-N,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

> <JCHEM_LOGP>
1.5162853301119068

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.864794375029751

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2609232791197216

> <JCHEM_PKA_STRONGEST_BASIC>
9.96642496754337

> <JCHEM_POLAR_SURFACE_AREA>
156.76

> <JCHEM_REFRACTIVITY>
156.40290000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-1-[(2S)-2-[(2S,3S)-2-{[(2R,3R)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-N,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       0.580  -3.982   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.754  -4.752   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.754  -6.292   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.580  -7.062   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.087  -7.062   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -2.087  -8.602   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -0.754  -9.372   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.580  -8.602   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.754 -10.912   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -2.087 -11.682   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.580 -11.682   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       0.580 -13.222   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       1.914 -10.912   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.247 -11.682   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.581 -10.912   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.915 -11.682   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.248 -10.912   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.582 -11.682   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.916 -10.912   0.000  0.00  0.00           C+0
HETATM   20 Cl   UNK     0      11.249 -11.682   0.000  0.00  0.00          Cl+0
HETATM   21 Cl   UNK     0       9.916  -9.372   0.000  0.00  0.00          Cl+0
HETATM   22  C   UNK     0      -3.421  -6.292   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -4.755  -7.062   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0      -3.421  -4.752   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      -2.087  -3.982   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.755  -3.982   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.088  -4.752   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -6.088  -6.292   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -5.462  -7.699   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -7.422  -7.062   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.755  -2.442   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -3.421  -1.672   0.000  0.00  0.00           O+0
HETATM   33  N   UNK     0      -6.088  -1.672   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0      -7.495  -2.299   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -8.526  -1.154   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -7.756   0.180   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -6.249  -0.141   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -5.105   0.890   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -5.425   2.396   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -3.640   0.414   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   22                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22    5   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   26   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   37                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   33   38                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₅₀Cl₂N₄O₆

Average Mass

609.6300 Da

Monoisotopic Mass

608.31074 Da

IUPAC Name

(2S)-1-[(2S)-2-[(2S,3S)-2-{[(2R,3R)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-N,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

Traditional Name

(2S)-1-[(2S)-2-[(2S,3S)-2-{[(2R,3R)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-N,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC[C@H](C)[C@H](N=C(O)[C@H](O)[C@H](N)CCCCCCC(Cl)Cl)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O

InChI Identifier

InChI=1S/C28H50Cl2N4O6/c1-6-18(4)23(32-25(36)24(35)19(31)12-9-7-8-10-14-22(29)30)27(38)33(5)21(16-17(2)3)26(37)34-15-11-13-20(34)28(39)40/h17-24,35H,6-16,31H2,1-5H3,(H,32,36)(H,39,40)/t18-,19+,20-,21-,23-,24+/m0/s1

InChI Key

JRCJKKSDWXJOMP-ZNNXEISXSA-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 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

Hybrid peptide
Leucine or derivatives
Isoleucine or derivatives
N-acyl-alpha amino acid or derivatives
Proline or derivatives
N-acyl-alpha-amino acid
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Beta amino acid or derivatives
Alpha-amino acid or derivatives
N-acylpyrrolidine
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
Monosaccharide
N-acyl-amine
Fatty acyl
Fatty amide
Tertiary carboxylic acid amide
Pyrrolidine
Secondary carboxylic acid amide
Secondary alcohol
Amino acid
Amino acid or derivatives
Carboxamide group
Carboxylic acid derivative
Carboxylic acid
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organohalogen compound
Organic nitrogen compound
Primary aliphatic amine
Alkyl halide
Alkyl chloride
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Organic oxygen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Organochloride
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	1.52	ChemAxon
pKa (Strongest Acidic)	3.26	ChemAxon
pKa (Strongest Basic)	9.97	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	156.76 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	156.4 m³·mol⁻¹	ChemAxon
Polarizability	65.72 Å³	ChemAxon
Number of Rings	1	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

8731083

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10555694

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid (NP0189873)

MOL for NP0189873 ((2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid)

3D MOL for NP0189873 ((2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid)

3D SDF for NP0189873 ((2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid)

3D-SDF for NP0189873 ((2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid)

PDB for NP0189873 ((2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid)

3D PDB for NP0189873 ((2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid)

SMILES for NP0189873 ((2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid)

INCHI for NP0189873 ((2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid)

Structure for NP0189873 ((2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid)

3D Structure for NP0189873 ((2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10,10-dichloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid)