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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H62N6O17
Molecular Weight 946.9948
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GOZETOTIDE

SMILES

C(CCC(=NCCCC[C@@]([H])(C(=O)O)N=C(N[C@@]([H])(CCC(=O)O)C(=O)O)O)O)CCN=C(CCc1ccc(c(c1)CN(CCN(Cc2cc(ccc2O)CCC(=O)O)CC(=O)O)CC(=O)O)O)O

InChI

InChIKey=QJUIUFGOTBRHKP-LQJZCPKCSA-N
InChI=1S/C44H62N6O17/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67)/t32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C44H62N6O17
Molecular Weight 946.9948
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 04:58:36 UTC 2021
Edited
by admin
on Sat Jun 26 04:58:36 UTC 2021
Record UNII
9AG41L3AOQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GOZETOTIDE
Common Name English
(3S,7S)-22-(3-(((2-((5-(2-CARBOXYETHYL)-2-HYDROXYBENZYL)(CARBOXYMETHYL)AMINO)ETHYL)(CARBOXYMETHYL)AMINO)METHYL)-4-HYDROXYPHENYL)-5,13,20-TRIOXO-4,6,12,19-TETRAAZADOCOSANE-1,3,7-TRICARBOXYLIC ACID
Systematic Name English
PSMA-HBED-CC
Common Name English
Code System Code Type Description
FDA UNII
9AG41L3AOQ
Created by admin on Sat Jun 26 04:58:36 UTC 2021 , Edited by admin on Sat Jun 26 04:58:36 UTC 2021
PRIMARY
CAS
1366302-52-4
Created by admin on Sat Jun 26 04:58:36 UTC 2021 , Edited by admin on Sat Jun 26 04:58:36 UTC 2021
PRIMARY
PUBCHEM
60143283
Created by admin on Sat Jun 26 04:58:36 UTC 2021 , Edited by admin on Sat Jun 26 04:58:36 UTC 2021
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
SALT/SOLVATE -> PARENT