Products 3036415-37-6
CAS 3036415-37-6 is the registry number for PSMA-trillium. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[[(1S)-1-carboxy-5-[[3-[1-[2-[2-[2-[3-[[(2S)-6-[[4-[2-[[2-carboxy-6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-4-pyridinyl]oxy]ethyl]phenyl]carbamothioylamino]-1-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(1S)-1-carboxy-5-[4-(4-iodophenyl)butanoylamino]pentyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-oxohexan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]phenyl]carbamoylamino]pentyl]carbamoylamino]pentanedioic acid (CAS 3036415-37-6) is a chemical compound with the molecular formula C106H156IN17O34S and a molecular weight of 2371.4 g/mol. IUPAC name: (2S)-2-[[(1S)-1-carboxy-5-[[3-[1-[2-[2-[2-[3-[[(2S)-6-[[4-[2-[[2-carboxy-6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-4-pyridinyl]oxy]ethyl]phenyl]carbamothioylamino]-1-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(1S)-1-carboxy-5-[4-(4-iodophenyl)butanoylamino]pentyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-oxohexan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]phenyl]carbamoylamino]pentyl]carbamoylamino]pentanedioic acid. InChIKey: MTIIFJOITJQZRL-ONKCMSQHSA-N.
| Molecular formula | C106H156IN17O34S |
|---|---|
| Molecular weight | 2371.4 g/mol |
| IUPAC name | (2S)-2-[[(1S)-1-carboxy-5-[[3-[1-[2-[2-[2-[3-[[(2S)-6-[[4-[2-[[2-carboxy-6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-4-pyridinyl]oxy]ethyl]phenyl]carbamothioylamino]-1-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(1S)-1-carboxy-5-[4-(4-iodophenyl)butanoylamino]pentyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-oxohexan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]phenyl]carbamoylamino]pentyl]carbamoylamino]pentanedioic acid |
| InChIKey | MTIIFJOITJQZRL-ONKCMSQHSA-N |
| SMILES | C1COCCOCCN(CCOCCOCCN1CC2=NC(=CC=C2)C(=O)O)CC3=NC(=CC(=C3)OCCC4=CC=C(C=C4)NC(=S)NCCCC[C@@H](C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCCC5=CC=C(C=C5)I)C(=O)O)NC(=O)CCOCCOCCOCCN6C=C(N=N6)C7=CC(=CC=C7)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O |
Computed by PubChem (NCBI)