NP-MRD: Showing NP-Card for (2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid (NP0297385)

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Record Information

Version

2.0

Created at

2022-09-10 07:39:57 UTC

Updated at

2022-09-10 07:39:58 UTC

NP-MRD ID

NP0297385

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid

Description

Ixorapeptide Ii 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. (2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid is found in Ixora coccinea. (2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid was first documented in 2010 (PMID: 21106454). Based on a literature review very few articles have been published on Ixorapeptide Ii.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102209392D          

 39 41  0  0  1  0            999 V2000
    5.1075   -1.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8220   -1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8220   -0.4790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1075   -0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5364   -0.0665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5364    0.7585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2509    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9654    0.7585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2509    1.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9654    2.4085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6798    1.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6798    1.1710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3943    2.4085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1088    1.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8233    0.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3943   -0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1088    3.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5364    3.2335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9489    4.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5010    5.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3079    4.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5629    4.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9654   -0.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2509   -1.3040    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
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 10  9  1  4  0  0  0
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  5 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309102209392D          

 39 41  0  0  1  0            999 V2000
    5.1075   -1.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8220   -1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1075    2.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5364    3.2335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8690    3.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1239    4.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9489    4.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5010    5.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3079    4.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5629    4.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0108    3.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2039    3.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2509   -0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9654   -0.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2509   -1.3040    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
 10  9  1  4  0  0  0
 10 11  2  0  0  0  0
 11 12  1  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
 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
 15 20  1  0  0  0  0
 13 21  1  1  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  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
 31 36  1  0  0  0  0
 28 36  1  0  0  0  0
  5 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0297385

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H](C)[C@H](N=C(O)C(N=C(O)[C@H](CC1=CC=CC=C1)N(C)C)C(C(C)C)N1C=CC2=CC=CC=C12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C31H42N4O4/c1-7-21(4)26(31(38)39)32-30(37)27(28(20(2)3)35-18-17-23-15-11-12-16-24(23)35)33-29(36)25(34(5)6)19-22-13-9-8-10-14-22/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,37)(H,33,36)(H,38,39)/t21-,25-,26-,27?,28?/m0/s1

> <INCHI_KEY>
DPHRDZLCFBXNED-FSSQJUNMSA-N

> <FORMULA>
C31H42N4O4

> <MOLECULAR_WEIGHT>
534.701

> <EXACT_MASS>
534.320605848

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
58.765400577127764

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S)-2-[(2-{[(2S)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(1H-indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid

> <JCHEM_LOGP>
3.852137424924594

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.838361682287711

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.092966851555781

> <JCHEM_PKA_STRONGEST_BASIC>
8.551691796260195

> <JCHEM_POLAR_SURFACE_AREA>
110.64999999999999

> <JCHEM_REFRACTIVITY>
153.1584

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S)-2-[(2-{[(2S)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0       9.534  -3.204   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.868  -2.434   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.868  -0.894   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.534  -0.124   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.201  -0.124   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      12.201   1.416   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      13.535   2.186   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      14.869   1.416   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      13.535   3.726   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      14.869   4.496   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      16.202   3.726   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      16.202   2.186   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      17.536   4.496   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.870   3.726   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      18.870   2.186   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      20.203   1.416   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      20.203  -0.124   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.870  -0.894   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.536  -0.124   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      17.536   1.416   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      17.536   6.036   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      18.870   6.806   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      16.202   6.806   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.201   4.496   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.868   3.726   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.868   2.186   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.534   4.496   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      12.201   6.036   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      10.955   6.941   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.431   8.406   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.971   8.406   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      14.002   9.550   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      15.508   9.230   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      15.984   7.765   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.954   6.621   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      13.447   6.941   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      13.535  -0.894   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      14.869  -0.124   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      13.535  -2.434   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   37                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   24                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   21                                                  
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   15                                                       
CONECT   21   13   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24    9   25   28                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   24   29   36                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   31   28                                                  
CONECT   37    5   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₄₂N₄O₄

Average Mass

534.7010 Da

Monoisotopic Mass

534.32061 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC[C@H](C)[C@H](N=C(O)C(N=C(O)[C@H](CC1=CC=CC=C1)N(C)C)C(C(C)C)N1C=CC2=CC=CC=C12)C(O)=O

InChI Identifier

InChI=1S/C31H42N4O4/c1-7-21(4)26(31(38)39)32-30(37)27(28(20(2)3)35-18-17-23-15-11-12-16-24(23)35)33-29(36)25(34(5)6)19-22-13-9-8-10-14-22/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,37)(H,33,36)(H,38,39)/t21-,25-,26-,27?,28?/m0/s1

InChI Key

DPHRDZLCFBXNED-FSSQJUNMSA-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
Ixora coccinea	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
Isoleucine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
N-alkylindole
Amphetamine or derivatives
Indole or derivatives
Indole
Aralkylamine
Benzenoid
Monocyclic benzene moiety
N-acyl-amine
Substituted pyrrole
Fatty acyl
Fatty amide
Pyrrole
Heteroaromatic compound
Amino acid or derivatives
Amino acid
Carboxamide group
Tertiary aliphatic amine
Tertiary amine
Secondary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxide
Carbonyl group
Hydrocarbon derivative
Amine
Organic nitrogen compound
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
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

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

26368659

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

50925590

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Lee CL, Liao YC, Hwang TL, Wu CC, Chang FR, Wu YC: Ixorapeptide I and ixorapeptide II, bioactive peptides isolated from Ixora coccinea. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7354-7. doi: 10.1016/j.bmcl.2010.10.058. Epub 2010 Oct 19. [PubMed:21106454 ]
LOTUS database [Link]

Showing NP-Card for (2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid (NP0297385)

MOL for NP0297385 ((2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid)

3D MOL for NP0297385 ((2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid)

3D SDF for NP0297385 ((2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid)

3D-SDF for NP0297385 ((2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid)

PDB for NP0297385 ((2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid)

3D PDB for NP0297385 ((2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid)

SMILES for NP0297385 ((2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid)

INCHI for NP0297385 ((2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid)

Structure for NP0297385 ((2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid)

3D Structure for NP0297385 ((2s,3s)-2-[(2-{[(2s)-2-(dimethylamino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(indol-1-yl)-4-methylpentylidene)amino]-3-methylpentanoic acid)