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Details

Stereochemistry ABSOLUTE
Molecular Formula C49H68N9O16.Ga
Molecular Weight 1107.0429
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VIPIVOTIDE TETRAXETAN GALLIUM GA-68

SMILES

[68Ga+3].OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](CC1=CC=C2C=CC=CC2=C1)NC(=O)[C@H]3CC[C@H](CNC(=O)CN4CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC4)CC3)C(O)=O)C(O)=O

InChI

InChIKey=PAXMZYRHVDZFFV-VSVMWJISSA-K
InChI=1S/C49H71N9O16.Ga/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61;/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74);/q;+3/p-3/t32-,35-,37-,38-,39-;/m0./s1/i;1-2

HIDE SMILES / InChI

Approval Year

Name Type Language
VIPIVOTIDE TETRAXETAN GALLIUM GA-68
Common Name English
GALLATE(3-)-68GA, (N6-(N-((TRANS-4-(((2-(4,7,10-TRIS((CARBOXY-.KAPPA.O)METHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,KN10)ACETYL-.KAPPA.O)AMINO)METHYL)CYCLOHEXYL)CARBONYL)-3-(2-NAPHTHALENYL)-L-ALANYL)-N2-((((1S)-1,3-DICARBOXYPROP
Systematic Name English
PSMA-617 GA-68
Common Name English
68GA-PSMA-617
Common Name English
Code System Code Type Description
CAS
2247839-19-4
Created by admin on Sat Dec 16 15:07:19 GMT 2023 , Edited by admin on Sat Dec 16 15:07:19 GMT 2023
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SMS_ID
300000017240
Created by admin on Sat Dec 16 15:07:19 GMT 2023 , Edited by admin on Sat Dec 16 15:07:19 GMT 2023
PRIMARY
FDA UNII
7P5C02S4X8
Created by admin on Sat Dec 16 15:07:19 GMT 2023 , Edited by admin on Sat Dec 16 15:07:19 GMT 2023
PRIMARY
NCI_THESAURUS
C165554
Created by admin on Sat Dec 16 15:07:19 GMT 2023 , Edited by admin on Sat Dec 16 15:07:19 GMT 2023
PRIMARY