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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H25N7O8
Molecular Weight 443.4118
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GOUGEROTIN

SMILES

CNCC(=O)N[C@H](CO)C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1C(N)=O)N2C=CC(N)=NC2=O

InChI

InChIKey=AMNAZJFEONUVTD-QJHHURCWSA-N
InChI=1S/C16H25N7O8/c1-19-4-8(25)20-6(5-24)14(29)22-9-10(26)11(27)15(31-12(9)13(18)28)23-3-2-7(17)21-16(23)30/h2-3,6,9-12,15,19,24,26-27H,4-5H2,1H3,(H2,18,28)(H,20,25)(H,22,29)(H2,17,21,30)/t6-,9+,10+,11-,12+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H25N7O8
Molecular Weight 443.4118
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:24:31 GMT 2025
Edited
by admin
on Mon Mar 31 23:24:31 GMT 2025
Record UNII
ALH0452B20
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GOUGEROTIN
MI  
Common Name English
NSC-528943
Preferred Name English
.BETA.-D-GLUCOPYRANURONAMIDE, 1-(4-AMINO-2-OXO-1(2H)-PYRIMIDINYL)-1,4-DIDEOXY-4-((N-METHYLGLYCYL-D-SERYL)AMINO)-
Common Name English
GOUGEROTIN [MI]
Common Name English
ASTEROMYCIN
Common Name English
ASPICULAMYCIN
Common Name English
1-(4-AMINO-2-OXO-1(2H)-PYRIMIDINYL)-1,4-DIDEOXY-4-((N-METHYLGLYCYL-D-SERYL)AMINO)-.BETA.-D-GLUCOPYRANURONAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
11226719
Created by admin on Mon Mar 31 23:24:31 GMT 2025 , Edited by admin on Mon Mar 31 23:24:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID601016880
Created by admin on Mon Mar 31 23:24:31 GMT 2025 , Edited by admin on Mon Mar 31 23:24:31 GMT 2025
PRIMARY
CAS
2096-42-6
Created by admin on Mon Mar 31 23:24:31 GMT 2025 , Edited by admin on Mon Mar 31 23:24:31 GMT 2025
PRIMARY
FDA UNII
ALH0452B20
Created by admin on Mon Mar 31 23:24:31 GMT 2025 , Edited by admin on Mon Mar 31 23:24:31 GMT 2025
PRIMARY
NSC
528943
Created by admin on Mon Mar 31 23:24:31 GMT 2025 , Edited by admin on Mon Mar 31 23:24:31 GMT 2025
PRIMARY
MERCK INDEX
m5835
Created by admin on Mon Mar 31 23:24:31 GMT 2025 , Edited by admin on Mon Mar 31 23:24:31 GMT 2025
PRIMARY Merck Index
Related Record Type Details
ACTIVE MOIETY