NP-MRD: Showing NP-Card for (3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid (NP0252456)

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Record Information

Version

2.0

Created at

2022-09-07 15:58:29 UTC

Updated at

2022-09-07 15:58:29 UTC

NP-MRD ID

NP0252456

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid

Description

CHEBI:137418 Belongs to the class of organic compounds known as organic isocyanides. These are organic compounds containing the isomer HN+#C- of hydrocyanic acid, HC#N, or its hydrocarbyl derivatives RNC (RN+#C-). (3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid is found in Streptomyces thioluteus. Based on a literature review very few articles have been published on CHEBI:137418.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 48  0  0  0  0  0  0  0  0999 V2000
    8.0635    0.9349   -0.2737 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.1172    0.2928   -0.4689 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.9699   -0.5118   -0.7060 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0276   -1.1055   -2.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7863    0.4653   -0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6451    1.0987    0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6906    1.8581    1.1426 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5803    0.9598    1.3033 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3999    0.2365    0.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4545    1.0204    0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2322    0.2287   -0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5326   -0.1573    1.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7667   -0.9644    0.5844 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5462   -1.3589    1.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7040   -2.0905    2.6949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4544   -0.2509   -0.3609 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4723    0.3208   -0.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5159    0.9213   -1.9758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6946    0.4645    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8187   -0.2427   -0.6743 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.1182   -0.1340    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9397    0.3455   -1.9335 N   0  0  0  0  0  4  0  0  0  0  0  0
   -6.0635    0.8341   -2.9896 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.8753   -1.2573    0.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1860   -1.8576   -2.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9822   -1.6386   -2.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8009   -0.3154   -2.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9047   -0.1106   -1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0096    1.2935   -1.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5733    2.8700    1.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6529   -0.6977    0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8810    0.0223    1.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380    1.9724    0.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9695    1.2898   -0.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516    0.9061   -0.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4314   -0.6326   -0.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8417    0.7734    1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0201   -0.7786    1.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3905   -1.9491    0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7836   -0.4375    2.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4664   -1.8963    1.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0217   -2.5149    2.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3846    1.9237   -2.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0174    1.5460    0.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6741    0.0596    1.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5285   -1.3070   -0.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2364    0.9022    0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9250   -0.4688   -0.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0435   -0.8624    0.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  3  0
  3  2  1  0
  2  1  3  0
  4 25  1  0
  4 26  1  0
  4 27  1  0
  3 24  1  1
  5 28  1  0
  5 29  1  0
  7 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  0
 10 34  1  0
 11 35  1  0
 11 36  1  0
 12 37  1  0
 12 38  1  0
 13 39  1  6
 14 40  1  0
 14 41  1  0
 15 42  1  0
 18 43  1  0
 19 44  1  0
 19 45  1  0
 20 46  1  6
 21 47  1  0
 21 48  1  0
 21 49  1  0
M  CHG  4   1  -1   2   1  22   1  23  -1
M  END


  Mrv1652309072217582D          

 23 22  0  0  1  0            999 V2000
   -3.3000    2.8579    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4750    2.8579    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.6500    2.8579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2375    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    2.8579    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    4.2868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    5.0013    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6000    5.7158    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  3  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  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  4  0  0  0
  9 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  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  6  0  0  0
 16 17  2  0  0  0  0
 17 18  1  4  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  3  0  0  0  0
M  CHG  4   1  -1   2   1  22   1  23  -1
M  END
> <DATABASE_ID>
NP0252456

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](CC(O)=NCCCC[C@@H](CO)N=C(O)C[C@@H](C)[N+]#[C-])[N+]#[C-]

> <INCHI_IDENTIFIER>
InChI=1S/C16H26N4O3/c1-12(17-3)9-15(22)19-8-6-5-7-14(11-21)20-16(23)10-13(2)18-4/h12-14,21H,5-11H2,1-2H3,(H,19,22)(H,20,23)/t12-,13-,14+/m1/s1

> <INCHI_KEY>
OWRVBXRUAASKRV-MCIONIFRSA-N

> <FORMULA>
C16H26N4O3

> <MOLECULAR_WEIGHT>
322.409

> <EXACT_MASS>
322.200490713

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
35.5405313198053

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R)-N-[(2S)-1-hydroxy-6-{[(3R)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid

> <JCHEM_LOGP>
-4.245333538308371

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
5.696120687569531

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.809067246138089

> <JCHEM_PKA_STRONGEST_BASIC>
3.2917564185973105

> <JCHEM_POLAR_SURFACE_AREA>
94.13000000000001

> <JCHEM_REFRACTIVITY>
106.01450000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(3R)-N-[(2S)-1-hydroxy-6-{[(3R)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.160   5.335   0.000  0.00  0.00           C-1
HETATM    2  N   UNK     0      -4.620   5.335   0.000  0.00  0.00           N+1
HETATM    3  C   UNK     0      -3.080   5.335   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.310   6.668   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.310   4.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.770   4.001   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.000   5.335   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       0.000   2.667   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       1.540   2.667   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.310   4.001   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.850   4.001   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.620   5.335   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.160   5.335   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       6.160   2.667   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0       6.930   6.668   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       8.470   6.668   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       9.240   5.335   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       9.240   8.002   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.780   8.002   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.550   6.668   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      11.550   9.336   0.000  0.00  0.00           N+1
HETATM   23  C   UNK     0      12.320  10.669   0.000  0.00  0.00           C-1
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₆N₄O₃

Average Mass

322.4090 Da

Monoisotopic Mass

322.20049 Da

IUPAC Name

(3R)-N-[(2S)-1-hydroxy-6-{[(3R)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid

Traditional Name

(3R)-N-[(2S)-1-hydroxy-6-{[(3R)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid

CAS Registry Number

Not Available

SMILES

C[C@H](CC(O)=NCCCC[C@@H](CO)N=C(O)C[C@@H](C)[N+]#[C-])[N+]#[C-]

InChI Identifier

InChI=1S/C16H26N4O3/c1-12(17-3)9-15(22)19-8-6-5-7-14(11-21)20-16(23)10-13(2)18-4/h12-14,21H,5-11H2,1-2H3,(H,19,22)(H,20,23)/t12-,13-,14+/m1/s1

InChI Key

OWRVBXRUAASKRV-MCIONIFRSA-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
Streptomyces thioluteus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as organic isocyanides. These are organic compounds containing the isomer HN+#C- of hydrocyanic acid, HC#N, or its hydrocarbyl derivatives RNC (RN+#C-).

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Organic isocyanides

Direct Parent

Organic isocyanides

Alternative Parents

Substituents

Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organic isocyanide
Carboximidic acid derivative
Carboximidic acid
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	-4.2	ChemAxon
pKa (Strongest Acidic)	4.81	ChemAxon
pKa (Strongest Basic)	3.29	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	94.13 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	106.01 m³·mol⁻¹	ChemAxon
Polarizability	35.54 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

137333764

PDB ID

Not Available

ChEBI ID

137418

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid (NP0252456)

MOL for NP0252456 ((3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid)

3D MOL for NP0252456 ((3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid)

3D SDF for NP0252456 ((3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid)

3D-SDF for NP0252456 ((3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid)

PDB for NP0252456 ((3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid)

3D PDB for NP0252456 ((3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid)

SMILES for NP0252456 ((3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid)

INCHI for NP0252456 ((3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid)

Structure for NP0252456 ((3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid)

3D Structure for NP0252456 ((3r)-n-[(2s)-1-hydroxy-6-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}hexan-2-yl]-3-isocyanobutanimidic acid)