2-[[3-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-4-[[[[[[(7S)-7-ethyl-7,8,11,13-tetrahydro-7-hydroxy-8,11-dioxo-10H-1,3-dioxolo[4,5-g]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-14-yl]methyl]amino]carbonyl]oxy]methyl]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H44N6O19
Molecular Weight	984.8704
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[[3-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-4-[[[[[[(7S)-7-ethyl-7,8,11,13-tetrahydro-7-hydroxy-8,11-dioxo-10H-1,3-dioxolo[4,5-g]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-14-yl]methyl]amino]carbonyl]oxy]methyl]

Structure Search

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=C6OCOC6=CC5=C4CNC(=O)OCC7=CC=C(O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O)C(NC(=O)CCNC(=O)CCN9C(=O)C=CC9=O)=C7)C2=O

InChI

InChIKey=IOLSZEGATCBQMU-RDAIPEHWSA-N

InChI=1S/C46H44N6O19/c1-2-46(65)25-13-28-36-23(16-52(28)41(60)24(25)18-66-44(46)63)22(21-12-30-31(69-19-68-30)14-26(21)50-36)15-48-45(64)67-17-20-3-4-29(70-43-39(59)37(57)38(58)40(71-43)42(61)62)27(11-20)49-33(54)7-9-47-32(53)8-10-51-34(55)5-6-35(51)56/h3-6,11-14,37-40,43,57-59,65H,2,7-10,15-19H2,1H3,(H,47,53)(H,48,64)(H,49,54)(H,61,62)/t37-,38-,39+,40-,43+,46-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6S)-6-[2-[[3-[[3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-4-[[[[[[(7S)-7-ethyl-7,8,11,13-tetrahydro-7-hydroxy-8,11-dioxo-10H-1,3-dioxolo[4,5-g]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-14-yl]methyl]amino]

Preferred Name

English

2-[[3-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-4-[[[[[[(7S)-7-ethyl-7,8,11,13-tetrahydro-7-hydroxy-8,11-dioxo-10H-1,3-dioxolo[4,5-g]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-14-yl]methyl]amino]carbonyl]oxy]methyl]

Systematic Name

English

2H-Pyran-2-carboxylic acid, 6-[2-[[3-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-4-[[[[[[(7S)-7-ethyl-7,8,11,13-tetrahydro-7-hydroxy-8,11-dioxo-10H-1,3-dioxolo[4,5-g]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-14-yl]me

Systematic Name

English

Code System Code Type Description

FDA UNII

6X55QB2LWX

Created by admin on Wed Apr 02 18:07:35 GMT 2025 , Edited by admin on Wed Apr 02 18:07:35 GMT 2025

PRIMARY

PUBCHEM

170411211

Created by admin on Wed Apr 02 18:07:35 GMT 2025 , Edited by admin on Wed Apr 02 18:07:35 GMT 2025

PRIMARY

CAS

2396667-62-0

Created by admin on Wed Apr 02 18:07:35 GMT 2025 , Edited by admin on Wed Apr 02 18:07:35 GMT 2025

PRIMARY

SUBSTANCE RECORD


					6X55QB2LWX

2-[[3-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-4-[[[[[[(7S)-7-ethyl-7,8,11,13-tetrahydro-7-hydroxy-8,11-dioxo-10H-1,3-dioxolo[4,5-g]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-14-yl]methyl]amino]carbonyl]oxy]methyl]