NP-MRD: Showing NP-Card for 2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid (NP0271419)

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Record Information

Version

2.0

Created at

2022-09-08 17:42:32 UTC

Updated at

2022-09-08 17:42:32 UTC

NP-MRD ID

NP0271419

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid

Description

2-{[(1-{2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]-3-(1H-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid is found in Litoria rubella. 2-{[(1-{2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]-3-(1H-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004191513302D          

 41 44  0  0  0  0            999 V2000
    4.0312    3.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    3.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023    3.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    2.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312    2.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312    1.3086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7457    2.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7457    3.3711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4601    2.1336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1746    2.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8891    2.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8891    1.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5565    0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3016    0.0390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4766    0.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9246   -0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  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
  5  7  1  0  0  0  0
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 33 38  1  0  0  0  0
 31 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004191513302D          

 41 44  0  0  0  0            999 V2000
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    7.6428    3.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1948    4.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7823    4.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9753    4.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3622    5.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5776    4.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5338    5.9631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9207    6.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0922    7.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    7.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6945    7.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814    8.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2529    8.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375    9.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6506    8.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1360    6.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5229    6.8122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9645    5.4532    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  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
 12 13  2  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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 12 20  1  0  0  0  0
 15 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 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  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 33 38  1  0  0  0  0
 31 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0271419

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CC(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC1C(=O)NC(CC1=CC=CC=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C31H39N5O5/c1-19(2)15-23(32)28(37)34-25(17-21-18-33-24-12-7-6-11-22(21)24)30(39)36-14-8-13-27(36)29(38)35-26(31(40)41)16-20-9-4-3-5-10-20/h3-7,9-12,18-19,23,25-27,33H,8,13-17,32H2,1-2H3,(H,34,37)(H,35,38)(H,40,41)

> <INCHI_KEY>
FZMVRHBXJMOBJO-UHFFFAOYSA-N

> <FORMULA>
C31H39N5O5

> <MOLECULAR_WEIGHT>
561.683

> <EXACT_MASS>
561.295119376

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
60.332097295844655

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({1-[2-(2-amino-4-methylpentanamido)-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropanoic acid

> <ALOGPS_LOGP>
0.52

> <JCHEM_LOGP>
0.48513823763880165

> <ALOGPS_LOGS>
-4.78

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.466142661397619

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5629205297224016

> <JCHEM_PKA_STRONGEST_BASIC>
8.131662254286184

> <JCHEM_POLAR_SURFACE_AREA>
157.61999999999998

> <JCHEM_REFRACTIVITY>
154.07669999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.33e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-({1-[2-(2-amino-4-methylpentanamido)-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       7.525   7.063   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.191   6.293   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.858   7.063   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.191   4.753   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.525   3.983   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       7.525   2.443   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       8.859   4.753   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       8.859   6.293   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      10.192   3.983   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      11.526   4.753   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.860   3.983   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.860   2.443   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.106   1.537   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      13.630   0.073   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      12.090   0.073   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.059  -1.072   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.553  -0.751   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.077   0.713   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.107   1.858   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.614   1.537   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.526   6.293   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      10.192   7.063   0.000  0.00  0.00           O+0
HETATM   23  N   UNK     0      12.860   7.063   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0      14.266   6.436   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      15.297   7.581   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.527   8.914   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.021   8.594   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.876   9.625   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      10.412   9.149   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0      12.196  11.131   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      11.052  12.162   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.372  13.668   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.228  14.698   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.763  14.222   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.619  15.253   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.939  16.759   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.403  17.235   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      10.548  16.205   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       9.587  11.686   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       8.443  12.716   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       9.267  10.179   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   21                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   20                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   12   15                                                  
CONECT   21   10   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   27                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   23   28                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   39                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   38                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   33                                                       
CONECT   39   31   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Value	Source
2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1H-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoate	Generator

Chemical Formula

C₃₁H₃₉N₅O₅

Average Mass

561.6830 Da

Monoisotopic Mass

561.29512 Da

IUPAC Name

2-({1-[2-(2-amino-4-methylpentanamido)-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropanoic acid

Traditional Name

2-({1-[2-(2-amino-4-methylpentanamido)-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropanoic acid

CAS Registry Number

Not Available

SMILES

CC(C)CC(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC1C(=O)NC(CC1=CC=CC=C1)C(O)=O

InChI Identifier

InChI=1S/C31H39N5O5/c1-19(2)15-23(32)28(37)34-25(17-21-18-33-24-12-7-6-11-22(21)24)30(39)36-14-8-13-27(36)29(38)35-26(31(40)41)16-20-9-4-3-5-10-20/h3-7,9-12,18-19,23,25-27,33H,8,13-17,32H2,1-2H3,(H,34,37)(H,35,38)(H,40,41)

InChI Key

FZMVRHBXJMOBJO-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

Species Name	Source	Reference
Litoria rubella	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Phenylalanine or derivatives
Leucine or derivatives
Proline or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Triptan
3-phenylpropanoic-acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
3-alkylindole
Indole
Indole or derivatives
Pyrrolidine-2-carboxamide
Pyrrolidine carboxylic acid or derivatives
N-acylpyrrolidine
Monocyclic benzene moiety
Fatty amide
N-acyl-amine
Fatty acyl
Benzenoid
Substituted pyrrole
Pyrrole
Tertiary carboxylic acid amide
Pyrrolidine
Heteroaromatic compound
Amino acid or derivatives
Secondary carboxylic acid amide
Carboxamide group
Amino acid
Organoheterocyclic compound
Azacycle
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Carbonyl group
Organic nitrogen compound
Primary amine
Organopnictogen compound
Hydrocarbon derivative
Primary aliphatic amine
Organonitrogen compound
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	0.52	ALOGPS
logP	0.49	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	3.56	ChemAxon
pKa (Strongest Basic)	8.13	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	157.62 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	154.08 m³·mol⁻¹	ChemAxon
Polarizability	60.33 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

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

18301424

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid (NP0271419)

MOL for NP0271419 (2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid)

3D MOL for NP0271419 (2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid)

3D SDF for NP0271419 (2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid)

3D-SDF for NP0271419 (2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid)

PDB for NP0271419 (2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid)

3D PDB for NP0271419 (2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid)

SMILES for NP0271419 (2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid)

INCHI for NP0271419 (2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid)

Structure for NP0271419 (2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid)

3D Structure for NP0271419 (2-{[(1-{2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-3-(1h-indol-3-yl)propanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid)