1345968-02-6

Name: 2-[4,7-bis(carboxylatomethyl)-5-[[4-[2-[2-[2-[2-[[(1S)-4-[4-[(2S,5S,11S,14R)-11-(carboxymethyl)-5-(3-guanidinopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1-[4-[(2S,5S,11R,14S)-11-(carboxymethyl)-5-(3-guanidinopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylcarbamoyl]-4-oxo-butyl]amino]-2-oxo-ethoxy]ethoxy]ethoxy]ethylcarbamothioylamino]phenyl]methyl]-1,4,7-triazonan-1-yl]acetate;gallium-68(3+)
Chemical Name: 2-[4,7-bis(carboxylatomethyl)-5-[[4-[2-[2-[2-[2-[[(1S)-4-[4-[(2S,5S,11S,14R)-11-(carboxymethyl)-5-(3-guanidinopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1-[4-[(2S,5S,11R,14S)-11-(carboxymethyl)-5-(3-guanidinopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylcarbamoyl]-4-oxo-butyl]amino]-2-oxo-ethoxy]ethoxy]ethoxy]ethylcarbamothioylamino]phenyl]methyl]-1,4,7-triazonan-1-yl]acetate;gallium-68(3+)
CAS Number: 1345968-02-6
Molecular Formula: C₈₇H₁₂₅GaN₂₄O₂₈S
Molecular Weight: 2055.1
Create Date: 2024-09-03 22:14:16
Modify Date: 2024-09-03 22:14:16

Name	2-[4,7-bis(carboxylatomethyl)-5-[[4-[2-[2-[2-[2-[[(1S)-4-[4-[(2S,5S,11S,14R)-11-(carboxymethyl)-5-(3-guanidinopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1-[4-[(2S,5S,11R,14S)-11-(carboxymethyl)-5-(3-guanidinopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylcarbamoyl]-4-oxo-butyl]amino]-2-oxo-ethoxy]ethoxy]ethoxy]ethylcarbamothioylamino]phenyl]methyl]-1,4,7-triazonan-1-yl]acetate;gallium-68(3+)

Molecular Formula	C₈₇H₁₂₅GaN₂₄O₂₈S
Molecular Weight	2055.1
Smiles	N=C(N)NCCCC1NC(=O)C(CCCCNC(=O)CCC(NC(=O)COCCOCCOCCNC(=S)Nc2ccc(CC3CN(CC(=O)[O-])CCN(CC(=O)[O-])CCN3CC(=O)[O-])cc2)C(=O)NCCCCC2NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC2=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(=O)O)NC(=O)CNC1=O.[Ga+3]