NP-MRD: Showing NP-Card for ({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid (NP0175377)

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Record Information

Version

2.0

Created at

2022-09-03 12:49:12 UTC

Updated at

2022-09-03 12:49:12 UTC

NP-MRD ID

NP0175377

Secondary Accession Numbers

None

Natural Product Identification

Common Name

({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid

Description

Ustiloxin C 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. Ustiloxin C is a very strong basic compound (based on its pKa). Outside of the human body, Ustiloxin C has been detected, but not quantified in, cereals and cereal products. ({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid is found in Ustilaginoidea virens. This could make ustiloxin C a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 05061312212D          

 38 39  0  0  0  0            999 V2000
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    1.3031    1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv0541 05061312212D          

 38 39  0  0  0  0            999 V2000
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  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  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
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0175377

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC1(C)OC2=CC(C(O)C(NC)C(=O)NC(C)C(=O)NC1C(=O)NCC(O)=O)=C(C=C2O)S(=O)CCO

> <INCHI_IDENTIFIER>
InChI=1S/C23H34N4O10S/c1-5-23(3)19(22(35)25-10-16(30)31)27-20(33)11(2)26-21(34)17(24-4)18(32)12-8-14(37-23)13(29)9-15(12)38(36)7-6-28/h8-9,11,17-19,24,28-29,32H,5-7,10H2,1-4H3,(H,25,35)(H,26,34)(H,27,33)(H,30,31)

> <INCHI_KEY>
GLUWKRSBTMPQNR-UHFFFAOYSA-N

> <FORMULA>
C23H34N4O10S

> <MOLECULAR_WEIGHT>
558.602

> <EXACT_MASS>
558.199564018

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
54.3710438886517

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[3-ethyl-11,15-dihydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]formamido}acetic acid

> <ALOGPS_LOGP>
-1.04

> <JCHEM_LOGP>
-5.6333660238243946

> <ALOGPS_LOGS>
-2.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.268012707066951

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.105160929004213

> <JCHEM_PKA_STRONGEST_BASIC>
7.456519901611581

> <JCHEM_POLAR_SURFACE_AREA>
223.61999999999998

> <JCHEM_REFRACTIVITY>
134.5407

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.30e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{[3-ethyl-11,15-dihydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]formamido}acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       0.600  -2.473   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.818  -3.416   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       1.342  -4.880   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.676   0.357   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.906   1.340   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.432   2.787   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.443   3.966   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -4.763  -2.510   0.000  0.00  0.00           O+0
HETATM    9  S   UNK     0      -4.763  -0.970   0.000  0.00  0.00           S+0
HETATM   10  C   UNK     0      -6.096  -0.200   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -6.096   1.340   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -7.430   2.110   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -3.445  -3.251   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -2.095  -2.510   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.674  -3.416   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.198  -4.880   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.103  -6.126   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -3.372  -4.106   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -1.891  -4.359   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0      -2.095   3.650   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.095   2.110   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.429   1.340   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.429  -0.200   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.095  -0.970   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.762  -0.200   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.762   1.340   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       0.572   2.110   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       4.590  -3.251   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       3.239  -2.510   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       3.239  -0.970   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       1.906  -0.200   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.239   0.570   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       3.239   2.110   0.000  0.00  0.00           O+0
HETATM   34  N   UNK     0       4.573  -0.200   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0       5.907   0.570   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.240  -0.200   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       8.574   0.570   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       7.240  -1.740   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   29                                                  
CONECT    3    2   16                                                       
CONECT    4    5                                                            
CONECT    5    4    6   27   31                                             
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    9                                                            
CONECT    9    8   10   23                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13   14                                                            
CONECT   14   13   15   24                                                  
CONECT   15   14   16   19                                                  
CONECT   16    3   15   17                                                  
CONECT   17   16                                                            
CONECT   18   19                                                            
CONECT   19   15   18                                                       
CONECT   20   21                                                            
CONECT   21   20   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23    9   22   24                                                  
CONECT   24   14   23   25                                                  
CONECT   25   24   26                                                       
CONECT   26   21   25   27                                                  
CONECT   27    5   26                                                       
CONECT   28   29                                                            
CONECT   29    2   28   30                                                  
CONECT   30   29   31                                                       
CONECT   31    5   30   32                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   78    0
END

View in JSmol

Synonyms

Value	Source
2-({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetate	Generator
2-({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulphinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetate	Generator
2-({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulphinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid	Generator
Ustiloxin C	MeSH

Chemical Formula

C₂₃H₃₄N₄O₁₀S

Average Mass

558.6020 Da

Monoisotopic Mass

558.19956 Da

IUPAC Name

2-{[3-ethyl-11,15-dihydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]formamido}acetic acid

Traditional Name

{[3-ethyl-11,15-dihydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]formamido}acetic acid

CAS Registry Number

Not Available

SMILES

CCC1(C)OC2=CC(C(O)C(NC)C(=O)NC(C)C(=O)NC1C(=O)NCC(O)=O)=C(C=C2O)S(=O)CCO

InChI Identifier

InChI=1S/C23H34N4O10S/c1-5-23(3)19(22(35)25-10-16(30)31)27-20(33)11(2)26-21(34)17(24-4)18(32)12-8-14(37-23)13(29)9-15(12)38(36)7-6-28/h8-9,11,17-19,24,28-29,32H,5-7,10H2,1-4H3,(H,25,35)(H,26,34)(H,27,33)(H,30,31)

InChI Key

GLUWKRSBTMPQNR-UHFFFAOYSA-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
Ustilaginoidea virens	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
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Macrolactam
Alpha-amino acid amide
Alpha-amino acid or derivatives
Alkyl aryl ether
Aralkylamine
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Amino acid or derivatives
Amino acid
Carboxamide group
Lactam
Secondary carboxylic acid amide
Secondary alcohol
Sulfoxide
Carboxylic acid
Oxacycle
Secondary aliphatic amine
Ether
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Sulfinyl compound
Secondary amine
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Alcohol
Amine
Organic oxide
Carbonyl group
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Primary alcohol
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	ALOGPS
logP	-5.6	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	3.11	ChemAxon
pKa (Strongest Basic)	7.46	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	223.62 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	134.54 m³·mol⁻¹	ChemAxon
Polarizability	54.37 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0041053

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB020927

KNApSAcK ID

C00016648

Chemspider ID

138879

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

157841

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for ({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid (NP0175377)

MOL for NP0175377 (({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid)

3D MOL for NP0175377 (({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid)

3D SDF for NP0175377 (({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid)

3D-SDF for NP0175377 (({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid)

PDB for NP0175377 (({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid)

3D PDB for NP0175377 (({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid)

SMILES for NP0175377 (({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid)

INCHI for NP0175377 (({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid)

Structure for NP0175377 (({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid)

3D Structure for NP0175377 (({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid)