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

Details

Stereochemistry ABSOLUTE
Molecular Formula C75H115FN18O27S3
Molecular Weight 1816.013
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of FLUCICLATIDE

SMILES

NC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CO\N=C\C2=CC=C(F)C=C2)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC3=O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N1

InChI

InChIKey=VXFFXZSNVKXXIB-SCSBXPEDSA-N
InChI=1S/C75H115FN18O27S3/c76-52-13-11-51(12-14-52)39-87-121-45-65(100)83-19-23-113-27-31-117-34-36-118-35-33-116-30-26-112-22-18-82-64(99)44-120-43-62(97)80-15-5-4-9-54-70(106)93-58-47-123-124-48-59(94-72(108)56(38-67(102)103)89-61(96)40-86-68(104)53(90-73(58)109)10-6-16-85-75(78)79)74(110)91-55(37-50-7-2-1-3-8-50)71(107)92-57(46-122-49-66(101)88-54)69(105)84-20-24-114-28-32-115-29-25-111-21-17-81-63(98)42-119-41-60(77)95/h1-3,7-8,11-14,39,53-59H,4-6,9-10,15-38,40-49H2,(H2,77,95)(H,80,97)(H,81,98)(H,82,99)(H,83,100)(H,84,105)(H,86,104)(H,88,101)(H,89,96)(H,90,109)(H,91,110)(H,92,107)(H,93,106)(H,94,108)(H,102,103)(H4,78,79,85)/b87-39+/t53-,54-,55-,56-,57-,58-,59-/m0/s1

HIDE SMILES / InChI

Molecular Formula C75H115FN18O27S3
Molecular Weight 1816.013
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 6
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:49:22 GMT 2023
Edited
by admin
on Sat Dec 16 11:49:22 GMT 2023
Record UNII
UQ6CV583Q3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUCICLATIDE
Common Name English
AH-111585
Code English
Code System Code Type Description
PUBCHEM
59707743
Created by admin on Sat Dec 16 11:49:22 GMT 2023 , Edited by admin on Sat Dec 16 11:49:22 GMT 2023
PRIMARY
CAS
879894-00-5
Created by admin on Sat Dec 16 11:49:22 GMT 2023 , Edited by admin on Sat Dec 16 11:49:22 GMT 2023
PRIMARY
FDA UNII
UQ6CV583Q3
Created by admin on Sat Dec 16 11:49:22 GMT 2023 , Edited by admin on Sat Dec 16 11:49:22 GMT 2023
PRIMARY
CAS
1033253-37-0
Created by admin on Sat Dec 16 11:49:22 GMT 2023 , Edited by admin on Sat Dec 16 11:49:22 GMT 2023
ALTERNATIVE
Related Record Type Details
LABELED -> NON-LABELED
Related Record Type Details
ACTIVE MOIETY