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Details

Stereochemistry ABSOLUTE
Molecular Formula C60H63N9O15S
Molecular Weight 1182.259
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUNIRINE

SMILES

[H][C@@]12CC3=CC=CC=C3N1C(=O)C4=CC(OC)=C(OCC5=CC(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCCC(=O)NCCN6C(=O)C=CC6=O)=CC(COC7=C(OC)C=C8C(N[C@H]([C@]9([H])CC%10=CC=CC=C%10N9C8=O)S(O)(=O)=O)=C7)=C5)C=C4NC2

InChI

InChIKey=ULMLCLUWGHVNGG-ZVGXFVMESA-N
InChI=1S/C60H63N9O15S/c1-33(63-53(71)16-10-9-15-52(70)61-19-20-67-54(72)17-18-55(67)73)56(74)64-34(2)57(75)65-39-22-35(31-83-50-28-43-41(26-48(50)81-3)59(76)68-40(30-62-43)24-37-11-5-7-13-45(37)68)21-36(23-39)32-84-51-29-44-42(27-49(51)82-4)60(77)69-46-14-8-6-12-38(46)25-47(69)58(66-44)85(78,79)80/h5-8,11-14,17-18,21-23,26-29,33-34,40,47,58,62,66H,9-10,15-16,19-20,24-25,30-32H2,1-4H3,(H,61,70)(H,63,71)(H,64,74)(H,65,75)(H,78,79,80)/t33-,34-,40-,47-,58-/m0/s1

HIDE SMILES / InChI

Molecular Formula C60H63N9O15S
Molecular Weight 1182.259
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:01:48 UTC 2023
Edited
by admin
on Sat Dec 16 19:01:48 UTC 2023
Record UNII
7HU8HWN3XQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUNIRINE
USAN  
Official Name English
SUNIRINE [USAN]
Common Name English
DGN549-C
Code English
(12S,12AS)-9-((3-((S)-2-((S)-2-(6-((2-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-1-YL)ETHYL)AMINO)-6-OXOHEXANAMIDO)PROPANAMIDO)PROPANAMIDO)-5-((((S)-8-METHOXY-6-OXO-11,12,12A,13-TETRAHYDRO-6H-BENZO(5,6)(1,4)DIAZEPINO(1,2-A)INDOL-9-YL)OXY)METHYL)BENZYL)OXY)-8-METHO
Systematic Name English
L-ALANINAMIDE, N-(6-((2-(2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)ETHYL)AMINO)-1,6-DIOXOHEXYL)-L-ALANYL-N-(3-((((12AS)-11,12,12A,13-TETRAHYDRO-8-METHOXY-6-OXO-6H-INDOLO(2,1-C)(1,4)BENZODIAZEPIN-9-YL)OXY)METHYL)-5-((((12AS)-11,12,12A,13-TETRAHYDRO-8-METHOXY-6
Systematic Name English
Code System Code Type Description
FDA UNII
7HU8HWN3XQ
Created by admin on Sat Dec 16 19:01:48 UTC 2023 , Edited by admin on Sat Dec 16 19:01:48 UTC 2023
PRIMARY
USAN
JK-211
Created by admin on Sat Dec 16 19:01:48 UTC 2023 , Edited by admin on Sat Dec 16 19:01:48 UTC 2023
PRIMARY
PUBCHEM
163184692
Created by admin on Sat Dec 16 19:01:48 UTC 2023 , Edited by admin on Sat Dec 16 19:01:48 UTC 2023
PRIMARY
SMS_ID
300000001485
Created by admin on Sat Dec 16 19:01:48 UTC 2023 , Edited by admin on Sat Dec 16 19:01:48 UTC 2023
PRIMARY
CAS
2058075-35-5
Created by admin on Sat Dec 16 19:01:48 UTC 2023 , Edited by admin on Sat Dec 16 19:01:48 UTC 2023
PRIMARY
NCI_THESAURUS
C190343
Created by admin on Sat Dec 16 19:01:48 UTC 2023 , Edited by admin on Sat Dec 16 19:01:48 UTC 2023
PRIMARY