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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H32N4O5
Molecular Weight 408.4919
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SOLIMASTAT

SMILES

CO[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)NC1=NC=CC=C1)C(C)(C)C)C(=O)NO

InChI

InChIKey=WORSVFBVUCBRIP-VNQPRFMTSA-N
InChI=1S/C20H32N4O5/c1-12(2)11-13(15(29-6)18(26)24-28)17(25)23-16(20(3,4)5)19(27)22-14-9-7-8-10-21-14/h7-10,12-13,15-16,28H,11H2,1-6H3,(H,23,25)(H,24,26)(H,21,22,27)/t13-,15+,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H32N4O5
Molecular Weight 408.4919
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:18:41 UTC 2023
Edited
by admin
on Fri Dec 15 17:18:41 UTC 2023
Record UNII
414MEG73VU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SOLIMASTAT
INN  
INN  
Official Name English
solimastat [INN]
Common Name English
(2S,3R)-3-((1S)-(2,2-DIMETHYL-1-(2-PYRIDYLCARBAMOYL)PROPYL)CARBAMOYL)-2-METHOXY-5-METHYLHEXANOHYDROXAMIC ACID
Systematic Name English
BB-3644
Code English
BUTANEDIAMIDE, N1-((1S)-2,2-DIMETHYL-1-((2-PYRIDINYLAMINO)CARBONYL)PROPYL)-N4-HYDROXY-3-METHOXY-2-(2-METHYLPROPYL)-, (2R,3S)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1970
Created by admin on Fri Dec 15 17:18:41 UTC 2023 , Edited by admin on Fri Dec 15 17:18:41 UTC 2023
Code System Code Type Description
SMS_ID
300000034418
Created by admin on Fri Dec 15 17:18:41 UTC 2023 , Edited by admin on Fri Dec 15 17:18:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID60945266
Created by admin on Fri Dec 15 17:18:41 UTC 2023 , Edited by admin on Fri Dec 15 17:18:41 UTC 2023
PRIMARY
INN
7832
Created by admin on Fri Dec 15 17:18:41 UTC 2023 , Edited by admin on Fri Dec 15 17:18:41 UTC 2023
PRIMARY
NCI_THESAURUS
C87761
Created by admin on Fri Dec 15 17:18:41 UTC 2023 , Edited by admin on Fri Dec 15 17:18:41 UTC 2023
PRIMARY
FDA UNII
414MEG73VU
Created by admin on Fri Dec 15 17:18:41 UTC 2023 , Edited by admin on Fri Dec 15 17:18:41 UTC 2023
PRIMARY
ChEMBL
CHEMBL2107228
Created by admin on Fri Dec 15 17:18:41 UTC 2023 , Edited by admin on Fri Dec 15 17:18:41 UTC 2023
PRIMARY
PUBCHEM
9822724
Created by admin on Fri Dec 15 17:18:41 UTC 2023 , Edited by admin on Fri Dec 15 17:18:41 UTC 2023
PRIMARY
CAS
226072-63-5
Created by admin on Fri Dec 15 17:18:41 UTC 2023 , Edited by admin on Fri Dec 15 17:18:41 UTC 2023
PRIMARY
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ACTIVE MOIETY