NP-MRD: Showing NP-Card for (2s)-n-[(3s,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)-3-phenylpropanimidic acid (NP0192887)

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Record Information

Version

2.0

Created at

2022-09-04 10:11:59 UTC

Updated at

2022-09-04 10:12:00 UTC

NP-MRD ID

NP0192887

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-n-[(3s,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)-3-phenylpropanimidic acid

Description

Frangufoline 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-[(3s,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)-3-phenylpropanimidic acid was first documented in 2014 (PMID: 25174108). Based on a literature review a small amount of articles have been published on Frangufoline (PMID: 30543915) (PMID: 35541146) (PMID: 25115227).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042212122D          

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M  END

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M  END


  Mrv1652309042212122D          

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    3.3725   -1.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7971   -1.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3688   -0.2913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8347    0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377    1.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0976    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094    1.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6657    2.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4479    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2971    2.9523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9447    2.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6273    2.8374    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  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  6  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  6  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
 29 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  2  0  0  0  0
 37 36  1  4  0  0  0
 37 38  2  0  0  0  0
  5 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0192887

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C[C@@H]1N=C(O)[C@@H](N=C(O)[C@H](CC2=CC=CC=C2)N(C)C)[C@@H](OC2=CC=C(C=C2)\C=C/N=C1O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C31H42N4O4/c1-20(2)18-25-29(36)32-17-16-22-12-14-24(15-13-22)39-28(21(3)4)27(31(38)33-25)34-30(37)26(35(5)6)19-23-10-8-7-9-11-23/h7-17,20-21,25-28H,18-19H2,1-6H3,(H,32,36)(H,33,38)(H,34,37)/b17-16-/t25-,26-,27-,28-/m0/s1

> <INCHI_KEY>
TVUQUDJOLFMOKT-SPZUWTHGSA-N

> <FORMULA>
C31H42N4O4

> <MOLECULAR_WEIGHT>
534.701

> <EXACT_MASS>
534.320605848

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
58.270340733818

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-N-[(3S,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)-3-phenylpropanimidic acid

> <JCHEM_LOGP>
-1.2915710694685687

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
-4.250815513562267

> <JCHEM_PKA_STRONGEST_ACIDIC>
-9.340762088279181

> <JCHEM_PKA_STRONGEST_BASIC>
14.972605629455202

> <JCHEM_POLAR_SURFACE_AREA>
110.24000000000001

> <JCHEM_REFRACTIVITY>
154.35870000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-N-[(3S,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)-3-phenylpropanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      13.498   0.470   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.100   1.887   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.629   2.074   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.174   3.118   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.645   2.931   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      11.479   1.385   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      10.666   0.061   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      11.769  -1.014   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       9.361  -0.786   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       9.894  -2.231   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      11.412  -2.492   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      12.397  -1.308   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      11.945  -3.937   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.463  -4.197   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      14.448  -3.013   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.915  -1.568   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.899  -0.384   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      16.417  -0.645   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      16.950  -2.089   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      15.966  -3.274   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      10.961  -5.121   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       9.443  -4.860   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.494  -6.565   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.805  -0.991   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.685  -2.527   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.295  -3.191   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.955  -3.398   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       6.288  -0.544   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       5.291   0.733   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.088   1.752   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.364   3.274   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.782   3.941   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.924   2.914   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.701   1.394   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.843   5.163   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.303   5.825   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0       9.888   5.511   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0      11.097   4.432   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      12.371   5.296   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   38                                                  
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                                                       
CONECT   29   28   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33   29                                                       
CONECT   35   32   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37    5   39                                                  
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   82    0
END

View in JSmol

Synonyms

Value	Source
Frangufoline, (3R-(3R,4S(r),7S))-isomer	MeSH

Chemical Formula

C₃₁H₄₂N₄O₄

Average Mass

534.7010 Da

Monoisotopic Mass

534.32061 Da

IUPAC Name

(2S)-N-[(3S,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)-3-phenylpropanimidic acid

Traditional Name

(2S)-N-[(3S,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)-3-phenylpropanimidic acid

CAS Registry Number

Not Available

SMILES

CC(C)C[C@@H]1N=C(O)[C@@H](N=C(O)[C@H](CC2=CC=CC=C2)N(C)C)[C@@H](OC2=CC=C(C=C2)\C=C/N=C1O)C(C)C

InChI Identifier

InChI=1S/C31H42N4O4/c1-20(2)18-25-29(36)32-17-16-22-12-14-24(15-13-22)39-28(21(3)4)27(31(38)33-25)34-30(37)26(35(5)6)19-23-10-8-7-9-11-23/h7-17,20-21,25-28H,18-19H2,1-6H3,(H,32,36)(H,33,38)(H,34,37)/b17-16-/t25-,26-,27-,28-/m0/s1

InChI Key

TVUQUDJOLFMOKT-SPZUWTHGSA-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 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
Phenylalanine or derivatives
Macrolactam
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Amphetamine or derivatives
Alkyl aryl ether
Aralkylamine
Fatty amide
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Secondary carboxylic acid amide
Amino acid or derivatives
Lactam
Tertiary amine
Tertiary aliphatic amine
Carboxamide group
Ether
Azacycle
Oxacycle
Organoheterocyclic compound
Organic nitrogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Amine
Organic oxide
Organic oxygen 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	-1.3	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	154.36 m³·mol⁻¹	ChemAxon
Polarizability	58.27 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	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

9905902

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11731186

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Dahmer J, do Carmo G, Mostardeiro MA, Neto AT, da Silva UF, Dalcol II, Morel AF: Antibacterial activity of Discaria americana Gillies ex Hook (Rhamnaceae). J Ethnopharmacol. 2019 Jul 15;239:111635. doi: 10.1016/j.jep.2018.12.009. Epub 2018 Dec 10. [PubMed:30543915 ]
Lomchoey N, Panseeta P, Boonsri P, Apiratikul N, Prabpai S, Kongsaeree P, Suksamrarn S: New bioactive cyclopeptide alkaloids with rare terminal unit from the root bark of Ziziphus cambodiana. RSC Adv. 2018 May 17;8(33):18204-18215. doi: 10.1039/c7ra13050c. eCollection 2018 May 17. [PubMed:35541146 ]
Guo S, Duan JA, Zhao JL, Qian DW, Zhang WJ: [Chemical constituents from seeds of Ziziphus mauritiana]. Zhong Yao Cai. 2014 Mar;37(3):432-5. [PubMed:25174108 ]
Oshima N, Zaima K, Kamakura H, Hamato A, Yamamoto Y, Kang DH, Yokokura T, Goda Y, Hakamatsuka T, Maruyama T: Identification of marker compounds for Japanese Pharmacopoeia non-conforming jujube seeds from Myanmar. J Nat Med. 2015 Jan;69(1):68-75. doi: 10.1007/s11418-014-0864-6. Epub 2014 Aug 13. [PubMed:25115227 ]
LOTUS database [Link]

Showing NP-Card for (2s)-n-[(3s,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)-3-phenylpropanimidic acid (NP0192887)

MOL for NP0192887 ((2s)-n-[(3s,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)-3-phenylpropanimidic acid)

3D MOL for NP0192887 ((2s)-n-[(3s,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)-3-phenylpropanimidic acid)

3D SDF for NP0192887 ((2s)-n-[(3s,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)-3-phenylpropanimidic acid)

3D-SDF for NP0192887 ((2s)-n-[(3s,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)-3-phenylpropanimidic acid)

PDB for NP0192887 ((2s)-n-[(3s,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)-3-phenylpropanimidic acid)

3D PDB for NP0192887 ((2s)-n-[(3s,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)-3-phenylpropanimidic acid)

SMILES for NP0192887 ((2s)-n-[(3s,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)-3-phenylpropanimidic acid)

INCHI for NP0192887 ((2s)-n-[(3s,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)-3-phenylpropanimidic acid)

Structure for NP0192887 ((2s)-n-[(3s,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)-3-phenylpropanimidic acid)

3D Structure for NP0192887 ((2s)-n-[(3s,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)-3-phenylpropanimidic acid)