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Details

Stereochemistry ABSOLUTE
Molecular Formula C60H79IN14O14
Molecular Weight 1347.2591
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANDITIXAFORTIDE

SMILES

CN1[C@H](CCCNC(=O)C2=CC=C(CNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)C=C2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC4=CC=C5C=CC=CC5=C4)C(=O)NCC(=O)N[C@H](CC6=CC=C(O)C(I)=C6)C1=O

InChI

InChIKey=AZOFCLCXFADPRO-JRTLPCBOSA-N
InChI=1S/C60H79IN14O14/c1-71-48(9-5-18-64-55(85)42-15-10-38(11-16-42)32-66-51(78)34-72-20-22-73(35-52(79)80)24-26-75(37-54(83)84)27-25-74(23-21-72)36-53(81)82)58(88)69-45(8-4-19-65-60(62)63)57(87)70-46(30-39-12-14-41-6-2-3-7-43(41)28-39)56(86)67-33-50(77)68-47(59(71)89)31-40-13-17-49(76)44(61)29-40/h2-3,6-7,10-17,28-29,45-48,76H,4-5,8-9,18-27,30-37H2,1H3,(H,64,85)(H,66,78)(H,67,86)(H,68,77)(H,69,88)(H,70,87)(H,79,80)(H,81,82)(H,83,84)(H4,62,63,65)/t45-,46-,47+,48+/m0/s1

HIDE SMILES / InChI

Molecular Formula C60H79IN14O14
Molecular Weight 1347.2591
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:25:48 GMT 2025
Edited
by admin
on Wed Apr 02 10:25:48 GMT 2025
Record UNII
N3GQ9C2X7N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLO(3-(2-NAPHTHALENYL)-L-ALANYLGLYCYL-3-IODO-D-TYROSYL-N2-METHYL-N5-(4-(((2-(4,7,10-TRIS(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL)ACETYL)AMINO)METHYL)BENZOYL)-D-ORNITHYL-L-ARGINYL)
Preferred Name English
ANDITIXAFORTIDE
Common Name English
Code System Code Type Description
PUBCHEM
138663894
Created by admin on Wed Apr 02 10:25:48 GMT 2025 , Edited by admin on Wed Apr 02 10:25:48 GMT 2025
PRIMARY
CAS
1821136-83-7
Created by admin on Wed Apr 02 10:25:48 GMT 2025 , Edited by admin on Wed Apr 02 10:25:48 GMT 2025
PRIMARY
FDA UNII
N3GQ9C2X7N
Created by admin on Wed Apr 02 10:25:48 GMT 2025 , Edited by admin on Wed Apr 02 10:25:48 GMT 2025
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED