NP-MRD: Showing NP-Card for (2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid (NP0323665)

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Record Information

Version

2.0

Created at

2022-09-12 03:14:16 UTC

Updated at

2022-09-12 03:14:16 UTC

NP-MRD ID

NP0323665

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid

Description

Franganine 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)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid is found in Discaria americana, Discaria pubescens and Melochia corchorifolia. (2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid was first documented in 2004 (PMID: 15081298). Based on a literature review a small amount of articles have been published on franganine (PMID: 19231884) (PMID: 22680778).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122205142D          

 36 37  0  0  1  0            999 V2000
    0.6880    5.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 35  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309122205142D          

 36 37  0  0  1  0            999 V2000
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   -3.3825    8.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5457    8.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1623    7.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5563    7.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    9.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9295    9.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1912    8.6424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2161    7.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0170    8.0740    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
  5  4  1  6  0  0  0
  5  6  1  0  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
 10 11  2  0  0  0  0
 11 12  1  4  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
 15 17  1  0  0  0  0
 13 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 33  1  4  0  0  0
 34 35  2  0  0  0  0
  5 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0323665

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C[C@H](N(C)C)C(O)=N[C@H]1[C@H](OC2=CC=C(C=C2)\C=C/N=C(O)[C@H](CC(C)C)N=C1O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C28H44N4O4/c1-17(2)15-22-26(33)29-14-13-20-9-11-21(12-10-20)36-25(19(5)6)24(28(35)30-22)31-27(34)23(32(7)8)16-18(3)4/h9-14,17-19,22-25H,15-16H2,1-8H3,(H,29,33)(H,30,35)(H,31,34)/b14-13-/t22-,23-,24-,25+/m0/s1

> <INCHI_KEY>
NZSLQDJARYZBJR-GANKZJCUSA-N

> <FORMULA>
C28H44N4O4

> <MOLECULAR_WEIGHT>
500.684

> <EXACT_MASS>
500.336255913

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
55.118885851369534

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-N-[(3R,4S,7S,10Z)-5,8-dihydroxy-7-(2-methylpropyl)-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid

> <JCHEM_LOGP>
-1.6843672993909016

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
-4.27193132132619

> <JCHEM_PKA_STRONGEST_ACIDIC>
-9.280546683310703

> <JCHEM_PKA_STRONGEST_BASIC>
14.968865382294034

> <JCHEM_POLAR_SURFACE_AREA>
110.24000000000001

> <JCHEM_REFRACTIVITY>
143.41330000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-N-[(3R,4S,7S,10Z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       1.284  10.154   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.340  11.275   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.839  10.921   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.897  12.750   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.399  13.104   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -0.293  11.711   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -1.514  10.750   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.852   9.360   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -3.031  10.407   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -3.031   8.867   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -1.698   8.097   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.364   8.867   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -1.698   6.557   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.031   5.787   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.031   4.247   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.365   3.477   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.698   3.477   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      -0.364   5.787   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       0.970   6.557   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.364   4.247   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.562  10.753   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.207   9.355   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -6.740   9.213   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.317   8.097   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -5.830  11.698   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -6.323  13.241   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -7.100  14.614   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -6.314  15.947   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.752  16.081   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.036  14.723   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.772  13.374   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -3.334  16.861   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.735  16.976   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0      -0.357  16.132   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0       0.403  14.701   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.898  15.071   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   35                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   21                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   13   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    9   22   25                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   21   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30   26                                                       
CONECT   32   29   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34    5   36                                                  
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₄N₄O₄

Average Mass

500.6840 Da

Monoisotopic Mass

500.33626 Da

IUPAC Name

(2S)-N-[(3R,4S,7S,10Z)-5,8-dihydroxy-7-(2-methylpropyl)-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid

Traditional Name

(2S)-N-[(3R,4S,7S,10Z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid

CAS Registry Number

Not Available

SMILES

CC(C)C[C@H](N(C)C)C(O)=N[C@H]1[C@H](OC2=CC=C(C=C2)\C=C/N=C(O)[C@H](CC(C)C)N=C1O)C(C)C

InChI Identifier

InChI=1S/C28H44N4O4/c1-17(2)15-22-26(33)29-14-13-20-9-11-21(12-10-20)36-25(19(5)6)24(28(35)30-22)31-27(34)23(32(7)8)16-18(3)4/h9-14,17-19,22-25H,15-16H2,1-8H3,(H,29,33)(H,30,35)(H,31,34)/b14-13-/t22-,23-,24-,25+/m0/s1

InChI Key

NZSLQDJARYZBJR-GANKZJCUSA-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
Discaria americana	LOTUS Database	35616633
Discaria pubescens	LOTUS Database	35616633
Melochia corchorifolia	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
Cyclic alpha peptide
Leucine or derivatives
Macrolactam
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Alkyl aryl ether
Fatty amide
Fatty acyl
N-acyl-amine
Benzenoid
Amino acid or derivatives
Carboxamide group
Lactam
Tertiary aliphatic amine
Secondary carboxylic acid amide
Tertiary amine
Azacycle
Oxacycle
Ether
Organoheterocyclic compound
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Amine
Organonitrogen compound
Organooxygen compound
Organic nitrogen 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
logP	-1.7	ChemAxon
pKa (Strongest Acidic)	-9.3	ChemAxon
pKa (Strongest Basic)	14.97	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	110.24 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	143.41 m³·mol⁻¹	ChemAxon
Polarizability	55.12 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	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

24617072

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

45270592

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Trevisan G, Maldaner G, Velloso NA, Sant'Anna Gda S, Ilha V, Velho Gewehr Cde C, Rubin MA, Morel AF, Ferreira J: Antinociceptive effects of 14-membered cyclopeptide alkaloids. J Nat Prod. 2009 Apr;72(4):608-12. doi: 10.1021/np800377y. [PubMed:19231884 ]
Giacomelli SR, Maldaner G, Gonzaga WA, Garcia CM, da Silva UF, Dalcol II, Morel AF: Cyclic peptide alkaloids from the bark of Discaria americana. Phytochemistry. 2004 Apr;65(7):933-7. doi: 10.1016/j.phytochem.2004.02.006. [PubMed:15081298 ]
Caro MS, de Oliveira LH, Ilha V, Burrow RA, Dalcol II, Morel AF: Absolute configuration of franganine. J Nat Prod. 2012 Jun 22;75(6):1220-2. doi: 10.1021/np300206x. Epub 2012 Jun 8. [PubMed:22680778 ]
LOTUS database [Link]

Showing NP-Card for (2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid (NP0323665)

MOL for NP0323665 ((2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid)

3D MOL for NP0323665 ((2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid)

3D SDF for NP0323665 ((2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid)

3D-SDF for NP0323665 ((2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid)

PDB for NP0323665 ((2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid)

3D PDB for NP0323665 ((2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid)

SMILES for NP0323665 ((2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid)

INCHI for NP0323665 ((2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid)

Structure for NP0323665 ((2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid)

3D Structure for NP0323665 ((2s)-n-[(3r,4s,7s,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid)