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Details

Stereochemistry ABSOLUTE
Molecular Formula C63H92IN11O23
Molecular Weight 1498.3689
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZADAVOTIDE GURAXETAN

SMILES

OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC2=CC=C(O)C(I)=C2)NC(=O)CC[C@@H](N3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)C(O)=O)C(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=HPLNQICCRXHOIA-CIYKLJAQSA-N
InChI=1S/C63H92IN11O23/c64-42-34-41(18-21-49(42)76)36-46(67-52(79)22-20-48(62(96)97)75-32-30-73(38-55(84)85)28-26-72(37-54(82)83)27-29-74(31-33-75)39-56(86)87)57(88)69-47(35-40-12-4-3-5-13-40)58(89)68-43(59(90)91)14-8-10-24-65-50(77)16-6-1-2-7-17-51(78)66-25-11-9-15-44(60(92)93)70-63(98)71-45(61(94)95)19-23-53(80)81/h3-5,12-13,18,21,34,43-48,76H,1-2,6-11,14-17,19-20,22-33,35-39H2,(H,65,77)(H,66,78)(H,67,79)(H,68,89)(H,69,88)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H2,70,71,98)/t43-,44+,45+,46-,47-,48-/m1/s1

HIDE SMILES / InChI

Molecular Formula C63H92IN11O23
Molecular Weight 1498.3689
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:17:15 GMT 2025
Edited
by admin
on Wed Apr 02 20:17:15 GMT 2025
Record UNII
45YI5BAE6Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PSMA I&T
Preferred Name English
ZADAVOTIDE GURAXETAN
Common Name English
PSMA-I&T
Common Name English
Code System Code Type Description
FDA UNII
45YI5BAE6Z
Created by admin on Wed Apr 02 20:17:15 GMT 2025 , Edited by admin on Wed Apr 02 20:17:15 GMT 2025
PRIMARY
CAS
2192281-54-0
Created by admin on Wed Apr 02 20:17:15 GMT 2025 , Edited by admin on Wed Apr 02 20:17:15 GMT 2025
PRIMARY
SMS_ID
100000184281
Created by admin on Wed Apr 02 20:17:15 GMT 2025 , Edited by admin on Wed Apr 02 20:17:15 GMT 2025
PRIMARY
PUBCHEM
146610216
Created by admin on Wed Apr 02 20:17:15 GMT 2025 , Edited by admin on Wed Apr 02 20:17:15 GMT 2025
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
TARGET->LIGAND
LABELED -> NON-LABELED
LABELED -> NON-LABELED