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

[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

Approval Year

Name

Type

Language

SUNIRINE

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