NP-MRD: Showing NP-Card for 3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate (NP0217000)

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Record Information

Version

2.0

Created at

2022-09-05 17:11:14 UTC

Updated at

2022-09-05 17:11:14 UTC

NP-MRD ID

NP0217000

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate

Description

Muscoride A belongs to the class of organic compounds known as valine and derivatives. Valine and derivatives are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate was first documented in 2003 (PMID: 12671983). Based on a literature review a small amount of articles have been published on Muscoride A (PMID: 31674754) (PMID: 28419973) (PMID: 22870867).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052219112D          

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M  END

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M  END


  Mrv1652309052219112D          

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   -3.6712   -3.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9642   -2.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492   -1.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1392   -2.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967   -2.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967   -3.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112   -1.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 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
 10 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 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  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 20 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 18 31  1  0  0  0  0
 17 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 15 34  1  0  0  0  0
  7 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0217000

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@H](NC(C)(C)C=C)C(=O)N1CCC[C@H]1C1=NC(=C(C)O1)C1=NC(C(=O)OCC=C(C)C)=C(C)O1

> <INCHI_IDENTIFIER>
InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3/t20-,21-/m0/s1

> <INCHI_KEY>
PFXJYHPNSWNJBP-SFTDATJTSA-N

> <FORMULA>
C28H40N4O5

> <MOLECULAR_WEIGHT>
512.651

> <EXACT_MASS>
512.299870404

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
58.80523555445917

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2S)-1-[(2S)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate

> <JCHEM_LOGP>
4.46966802766667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.819485037238088

> <JCHEM_POLAR_SURFACE_AREA>
110.7

> <JCHEM_REFRACTIVITY>
152.54800000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2S)-1-[(2S)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       5.061   1.097   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.061  -0.443   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.727  -1.213   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.957   0.121   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.497  -2.546   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       2.393  -1.983   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       2.393  -3.523   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.060  -4.293   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -0.274  -3.523   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       1.060  -5.833   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       2.306  -6.738   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.830  -8.203   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.290  -8.203   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.186  -6.738   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.651  -6.262   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      -2.897  -7.167   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -4.142  -6.262   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.607  -6.738   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -6.083  -8.203   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -7.623  -8.203   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -8.528  -9.448   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0     -10.060  -9.288   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -7.902 -10.855   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -8.807 -12.101   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -8.181 -13.508   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -9.086 -14.754   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -8.459 -16.161   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -10.617 -14.593   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -8.099  -6.738   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -9.563  -6.262   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -6.853  -5.833   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -3.667  -4.797   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -4.572  -3.552   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -2.127  -4.797   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       3.727  -4.293   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       3.727  -5.833   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.061  -3.523   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3    7                                                       
CONECT    7    6    8   35                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   10   15                                                  
CONECT   15   14   16   34                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   32                                                  
CONECT   18   17   19   31                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   29                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   20   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   18                                                       
CONECT   32   17   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   15                                                       
CONECT   35    7   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₀N₄O₅

Average Mass

512.6510 Da

Monoisotopic Mass

512.29987 Da

IUPAC Name

3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2S)-1-[(2S)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate

Traditional Name

3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2S)-1-[(2S)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate

CAS Registry Number

Not Available

SMILES

CC(C)[C@H](NC(C)(C)C=C)C(=O)N1CCC[C@H]1C1=NC(=C(C)O1)C1=NC(C(=O)OCC=C(C)C)=C(C)O1

InChI Identifier

InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3/t20-,21-/m0/s1

InChI Key

PFXJYHPNSWNJBP-SFTDATJTSA-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 valine and derivatives. Valine and derivatives are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Valine and derivatives

Alternative Parents

Substituents

Valine or derivatives
Alpha-amino acid amide
2,4,5-trisubstituted 1,3-oxazole
N-acylpyrrolidine
Azole
Heteroaromatic compound
Oxazole
Pyrrolidine
Tertiary carboxylic acid amide
Carboxamide group
Carboxylic acid ester
Azacycle
Oxacycle
Secondary aliphatic amine
Secondary amine
Organoheterocyclic compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Organic oxide
Amine
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic 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	4.47	ChemAxon
pKa (Strongest Basic)	8.82	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	110.7 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	152.55 m³·mol⁻¹	ChemAxon
Polarizability	58.81 Å³	ChemAxon
Number of Rings	3	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

C00028625

Chemspider ID

9137521

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10962306

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Mattila A, Andsten RM, Jumppanen M, Assante M, Jokela J, Wahlsten M, Mikula KM, Sigindere C, Kwak DH, Gugger M, Koskela H, Sivonen K, Liu X, Yli-Kauhaluoma J, Iwai H, Fewer DP: Biosynthesis of the Bis-Prenylated Alkaloids Muscoride A and B. ACS Chem Biol. 2019 Dec 20;14(12):2683-2690. doi: 10.1021/acschembio.9b00620. Epub 2019 Nov 19. [PubMed:31674754 ]
Swain SS, Paidesetty SK, Padhy RN: Antibacterial, antifungal and antimycobacterial compounds from cyanobacteria. Biomed Pharmacother. 2017 Jun;90:760-776. doi: 10.1016/j.biopha.2017.04.030. Epub 2017 Apr 15. [PubMed:28419973 ]
Amaike K, Muto K, Yamaguchi J, Itami K: Decarbonylative C-H coupling of azoles and aryl esters: unprecedented nickel catalysis and application to the synthesis of muscoride A. J Am Chem Soc. 2012 Aug 22;134(33):13573-6. doi: 10.1021/ja306062c. Epub 2012 Aug 7. [PubMed:22870867 ]
Coqueron PY, Didier C, Ciufolini MA: Iterative oxazole assembly via alpha-chloroglycinates: total synthesis of (-)-muscoride A. Angew Chem Int Ed Engl. 2003 Mar 28;42(12):1411-4. doi: 10.1002/anie.200390363. [PubMed:12671983 ]
LOTUS database [Link]

Showing NP-Card for 3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate (NP0217000)

MOL for NP0217000 (3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate)

3D MOL for NP0217000 (3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate)

3D SDF for NP0217000 (3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate)

3D-SDF for NP0217000 (3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate)

PDB for NP0217000 (3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate)

3D PDB for NP0217000 (3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate)

SMILES for NP0217000 (3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate)

INCHI for NP0217000 (3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate)

Structure for NP0217000 (3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate)

3D Structure for NP0217000 (3-methylbut-2-en-1-yl 5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylate)