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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H40FN4O14P
Molecular Weight 706.6078
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CTT-1057

SMILES

OC(=O)CC[C@H](NP(O)(=O)OCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCNC(=O)C1=CC=C(F)C=C1)C(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=IZLOSIXADNUSCM-ACRUOGEOSA-N
InChI=1S/C28H40FN4O14P/c29-18-9-7-17(8-10-18)25(38)30-15-3-1-2-6-22(34)32-20(27(41)42)11-13-23(35)31-19(26(39)40)5-4-16-47-48(45,46)33-21(28(43)44)12-14-24(36)37/h7-10,19-21H,1-6,11-16H2,(H,30,38)(H,31,35)(H,32,34)(H,36,37)(H,39,40)(H,41,42)(H,43,44)(H2,33,45,46)/t19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H40FN4O14P
Molecular Weight 706.6078
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:32:20 UTC 2023
Edited
by admin
on Sat Dec 16 11:32:20 UTC 2023
Record UNII
QMH3V8VSPB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CTT-1057
Common Name English
6-OXA-4,11,16,23-TETRAAZA-5-PHOSPHATETRACOSANE-1,3,10,15-TETRACARBOXYLIC ACID, 24-(4-FLUOROPHENYL)-5-HYDROXY-12,17,24-TRIOXO-, 5-OXIDE, (3S,10S,15S)-
Systematic Name English
CTT1057
Code English
Code System Code Type Description
CAS
1628717-55-4
Created by admin on Sat Dec 16 11:32:20 UTC 2023 , Edited by admin on Sat Dec 16 11:32:20 UTC 2023
PRIMARY
PUBCHEM
73386645
Created by admin on Sat Dec 16 11:32:20 UTC 2023 , Edited by admin on Sat Dec 16 11:32:20 UTC 2023
PRIMARY
FDA UNII
QMH3V8VSPB
Created by admin on Sat Dec 16 11:32:20 UTC 2023 , Edited by admin on Sat Dec 16 11:32:20 UTC 2023
PRIMARY
DRUG BANK
DB14965
Created by admin on Sat Dec 16 11:32:20 UTC 2023 , Edited by admin on Sat Dec 16 11:32:20 UTC 2023
PRIMARY
SMS_ID
300000031714
Created by admin on Sat Dec 16 11:32:20 UTC 2023 , Edited by admin on Sat Dec 16 11:32:20 UTC 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED