NP-MRD: Showing NP-Card for (2s)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid (NP0295060)

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Record Information

Version

1.0

Created at

2022-09-10 03:52:11 UTC

Updated at

2022-09-10 03:52:11 UTC

NP-MRD ID

NP0295060

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid

Description

Anorldianine 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)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid is found in Psydrax arnoldiana. It was first documented in 2019 (PMID: 31404786). Based on a literature review a significant number of articles have been published on Anorldianine (PMID: 36115695) (PMID: 36115694) (PMID: 36115693) (PMID: 36115692).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102205522D          

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M  END

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M  END


  Mrv1652309102205522D          

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  5  6  1  0  0  0  0
  6  7  1  4  0  0  0
  6  8  2  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 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
 16 12  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  4  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
  9 29  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
  5 33  1  6  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0295060

> <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]2CCCN2C1=O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C27H40N4O4/c1-17(2)16-22(30(5)6)26(33)29-23-24(18(3)4)35-20-11-9-19(10-12-20)13-14-28-25(32)21-8-7-15-31(21)27(23)34/h9-14,17-18,21-24H,7-8,15-16H2,1-6H3,(H,28,32)(H,29,33)/b14-13-/t21-,22-,23-,24-/m0/s1

> <INCHI_KEY>
MITWCWLZKRSVCI-SBGIFIGLSA-N

> <FORMULA>
C27H40N4O4

> <MOLECULAR_WEIGHT>
484.641

> <EXACT_MASS>
484.304955784

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
52.95221621178804

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-(dimethylamino)-N-[(3S,4S,10S,13Z)-11-hydroxy-5-oxo-3-(propan-2-yl)-2-oxa-6,12-diazatricyclo[13.2.2.0^{6,10}]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid

> <JCHEM_LOGP>
0.6438640281935091

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
3.4735406202571673

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.793779340850771

> <JCHEM_PKA_STRONGEST_BASIC>
8.304776137327181

> <JCHEM_POLAR_SURFACE_AREA>
97.96000000000001

> <JCHEM_REFRACTIVITY>
136.9071

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-(dimethylamino)-N-[(3S,4S,10S,13Z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0^{6,10}]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic 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      -3.890  -2.375   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.557  -3.145   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.223  -2.375   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.557  -4.685   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.223  -5.455   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.223  -6.995   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.111  -7.765   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      -2.557  -7.765   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -2.557  -9.305   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.993  -9.731   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.239  -8.389   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       0.167 -10.830   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       1.375  -9.875   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.657 -10.728   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.241 -12.211   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.702 -12.274   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.570 -13.835   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.038 -14.302   0.000  0.00  0.00           O+0
HETATM   19  N   UNK     0      -0.219 -15.176   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -1.521 -16.053   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.078 -16.329   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.540 -15.631   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -6.071 -15.256   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.503 -13.771   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.531 -12.541   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.051 -12.951   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -3.573 -14.410   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -5.127 -10.974   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -4.116  -9.730   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.956  -8.440   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.259  -7.067   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -6.494  -8.522   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0       0.111  -4.685   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0       0.111  -3.145   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.444  -5.455   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   33                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   29                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   16                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   12   17                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26   22                                                       
CONECT   28   25   29                                                       
CONECT   29   28    9   30                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33    5   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₄₀N₄O₄

Average Mass

484.6410 Da

Monoisotopic Mass

484.30496 Da

IUPAC Name

(2S)-2-(dimethylamino)-N-[(3S,4S,10S,13Z)-11-hydroxy-5-oxo-3-(propan-2-yl)-2-oxa-6,12-diazatricyclo[13.2.2.0^{6,10}]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid

Traditional Name

(2S)-2-(dimethylamino)-N-[(3S,4S,10S,13Z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0^{6,10}]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-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]2CCCN2C1=O)C(C)C

InChI Identifier

InChI=1S/C27H40N4O4/c1-17(2)16-22(30(5)6)26(33)29-23-24(18(3)4)35-20-11-9-19(10-12-20)13-14-28-25(32)21-8-7-15-31(21)27(23)34/h9-14,17-18,21-24H,7-8,15-16H2,1-6H3,(H,28,32)(H,29,33)/b14-13-/t21-,22-,23-,24-/m0/s1

InChI Key

MITWCWLZKRSVCI-SBGIFIGLSA-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
Psydrax arnoldiana	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
N-acyl-amine
Benzenoid
Fatty acyl
Tertiary carboxylic acid amide
Pyrrolidine
Tertiary amine
Secondary carboxylic acid amide
Tertiary aliphatic amine
Amino acid or derivatives
Lactam
Carboxamide group
Organoheterocyclic compound
Azacycle
Oxacycle
Ether
Amine
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Organic oxygen compound
Organonitrogen compound
Organic oxide
Organooxygen 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	0.64	ChemAxon
pKa (Strongest Acidic)	2.79	ChemAxon
pKa (Strongest Basic)	8.3	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	97.96 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	136.91 m³·mol⁻¹	ChemAxon
Polarizability	52.95 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

6442830

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

eBioMedicine: The dynamics of the immune system and gut in the pathophysiology of multiple sclerosis. EBioMedicine. 2022 Sep;83:104273. doi: 10.1016/j.ebiom.2022.104273. [PubMed:36115695 ]
Lundgren S, Keranen M, Wartiovaara-Kautto U, Myllymaki M: Somatic compensation of inherited bone marrow failure. Semin Hematol. 2022 Jul;59(3):167-173. doi: 10.1053/j.seminhematol.2022.07.002. Epub 2022 Aug 3. [PubMed:36115694 ]
Alcedo PE, Gutierrez-Rodrigues F, Patel BA: Somatic mutations in VEXAS Syndrome and Erdheim-Chester disease: Inflammatory myeloid diseases. Semin Hematol. 2022 Jul;59(3):156-166. doi: 10.1053/j.seminhematol.2022.07.003. Epub 2022 Aug 3. [PubMed:36115693 ]
Todisco G, Moura PL, Hellstrom-Lindberg E: Clinical manifestations of clonal hematopoiesis: What has SF3B1-mutant MDS taught us? Semin Hematol. 2022 Jul;59(3):150-155. doi: 10.1053/j.seminhematol.2022.08.002. Epub 2022 Aug 11. [PubMed:36115692 ]
Bitchi MB, Magid AA, Kabran FA, Yao-Kouassi PA, Harakat D, Morjani H, Tonzibo FZ, Voutquenne-Nazabadioko L: Isolation and structure elucidation of cyclopeptide alkaloids from the leaves of Heisteria parvifolia. Phytochemistry. 2019 Nov;167:112081. doi: 10.1016/j.phytochem.2019.112081. Epub 2019 Aug 9. [PubMed:31404786 ]
LOTUS database [Link]

Showing NP-Card for (2s)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid (NP0295060)

MOL for NP0295060 ((2s)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid)

3D MOL for NP0295060 ((2s)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid)

3D SDF for NP0295060 ((2s)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid)

3D-SDF for NP0295060 ((2s)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid)

PDB for NP0295060 ((2s)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid)

3D PDB for NP0295060 ((2s)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid)

SMILES for NP0295060 ((2s)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid)

INCHI for NP0295060 ((2s)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid)

Structure for NP0295060 ((2s)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid)

3D Structure for NP0295060 ((2s)-2-(dimethylamino)-n-[(3s,4s,10s,13z)-11-hydroxy-3-isopropyl-5-oxo-2-oxa-6,12-diazatricyclo[13.2.2.0⁶,¹⁰]nonadeca-1(17),11,13,15,18-pentaen-4-yl]-4-methylpentanimidic acid)