SUNIRINE

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 Search

SMILES

COC1=CC2=C(NC[C@@H]3CC4=CC=CC=C4N3C2=O)C=C1OCC5=CC(COC6=C(OC)C=C7C(N[C@H]([C@@H]8CC9=CC=CC=C9N8C7=O)S(O)(=O)=O)=C6)=CC(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCCC(=O)NCCN%10C(=O)C=CC%10=O)=C5

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 `Wed Apr 02 13:19:39 GMT 2025` Edited by `admin` on `Wed Apr 02 13:19:39 GMT 2025`
Record UNII	7HU8HWN3XQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DGN549-C

Preferred Name

English

SUNIRINE

Official Name

English

SUNIRINE [USAN]

Common Name

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