U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C66H83N9O18S
Molecular Weight 1322.48
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UZOPTIRINE

SMILES

[H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NS(=O)(=O)NCCOCCOCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NC3=CC=C(COC(=O)N4[C@@H](O)[C@]5([H])CC(C)=CN5C(=O)C6=C4C=C(OCCCCCOC7=CC8=C(C=C7OC)C(=O)N9C=C(C)C[C@@]9([H])C=N8)C(OC)=C6)C=C3

InChI

InChIKey=GYWJLJHLCOVBNB-QXPKFWTNSA-N
InChI=1S/C66H83N9O18S/c1-39(2)59(71-58(76)38-89-26-25-88-24-21-68-94(84,85)72-65(82)92-37-50-46-15-11-8-9-12-16-47(46)50)61(78)69-42(5)60(77)70-44-19-17-43(18-20-44)36-93-66(83)75-52-32-57(55(87-7)30-49(52)63(80)74-35-41(4)28-53(74)64(75)81)91-23-14-10-13-22-90-56-31-51-48(29-54(56)86-6)62(79)73-34-40(3)27-45(73)33-67-51/h17-20,29-35,39,42,45-47,50,53,59,64,68,81H,10-16,21-28,36-38H2,1-7H3,(H,69,78)(H,70,77)(H,71,76)(H,72,82)/t42-,45-,46-,47+,50-,53-,59-,64-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
UZOPTIRINE
USAN  
Official Name English
4-((S)-14-((N-((((1R,8S,9S)-BICYCLO(6.1.0)NON-4-YN-9-YL)METHOXY)CARBONYL)SULFAMOYL)AMINO)-5-ISOPROPYL-2,2-DIMETHYL-4,7-DIOXO-9,12-DIOXA-3,6-DIAZATETRADECANAMIDO)BENZYL (11S,11AS)-11-HYDROXY-7-METHOXY-8-((5-(((S)-7-METHOXY-2-METHYL-5-OXO-5,11A-DIHYDRO-1H-
Systematic Name English
L-ALANINAMIDE, N-(10,10-DIOXIDO-1,12-DIOXO-14-((1.ALPHA.,8.ALPHA.,9.BETA.)-BICYCLO(6.1.0)NON-4-YN-9-YL)-3,6,13-TRIOXA-10-THIA-9,11-DIAZATETRADEC-1-YL)-L-VALYL-N-(4-(((((11S,11AS)-8-((5-(((11AS)-5,11A-DIHYDRO-7-METHOXY-2-METHYL-5-OXO-1H-PYRROLO(2,1-C)(1,4
Systematic Name English
PL-1601
Code English
UZOPTIRINE [USAN]
Common Name English
PL1601
Code English
Code System Code Type Description
USAN
KL-23
Created by admin on Sat Dec 16 14:26:47 GMT 2023 , Edited by admin on Sat Dec 16 14:26:47 GMT 2023
PRIMARY
NCI_THESAURUS
C188550
Created by admin on Sat Dec 16 14:26:47 GMT 2023 , Edited by admin on Sat Dec 16 14:26:47 GMT 2023
PRIMARY
CAS
2126805-05-6
Created by admin on Sat Dec 16 14:26:47 GMT 2023 , Edited by admin on Sat Dec 16 14:26:47 GMT 2023
PRIMARY
FDA UNII
A4FNO81J2Y
Created by admin on Sat Dec 16 14:26:47 GMT 2023 , Edited by admin on Sat Dec 16 14:26:47 GMT 2023
PRIMARY