Products 2946600-14-0
CAS 2946600-14-0 is the registry number for PSMA-IN-2. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-6-[3-[4-[8-[4-[[3-[[(5S)-5-carboxy-5-[[(1S)-1-carboxy-2-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]ethyl]carbamoylamino]pentyl]amino]-3-oxopropyl]-methylamino]phenyl]-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]-N-methylanilino]propanoylamino]-2-[[(1S)-1-carboxy-2-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]ethyl]carbamoylamino]hexanoic acid (CAS 2946600-14-0) is a chemical compound with the molecular formula C54H60N14O18S2 and a molecular weight of 1257.3 g/mol. IUPAC name: (2S)-6-[3-[4-[8-[4-[[3-[[(5S)-5-carboxy-5-[[(1S)-1-carboxy-2-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]ethyl]carbamoylamino]pentyl]amino]-3-oxopropyl]-methylamino]phenyl]-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]-N-methylanilino]propanoylamino]-2-[[(1S)-1-carboxy-2-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]ethyl]carbamoylamino]hexanoic acid. InChIKey: SQBTYNFCZAVIEI-YDPTYEFTSA-N.
| Molecular formula | C54H60N14O18S2 |
|---|---|
| Molecular weight | 1257.3 g/mol |
| IUPAC name | (2S)-6-[3-[4-[8-[4-[[3-[[(5S)-5-carboxy-5-[[(1S)-1-carboxy-2-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]ethyl]carbamoylamino]pentyl]amino]-3-oxopropyl]-methylamino]phenyl]-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]-N-methylanilino]propanoylamino]-2-[[(1S)-1-carboxy-2-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]ethyl]carbamoylamino]hexanoic acid |
| InChIKey | SQBTYNFCZAVIEI-YDPTYEFTSA-N |
| SMILES | CN(CCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CNC1=C(C(=O)C1=O)O)C(=O)O)C2=CC=C(C=C2)C3=C4C(=C(C5=NSN=C35)C6=CC=C(C=C6)N(C)CCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CNC7=C(C(=O)C7=O)O)C(=O)O)N=S=N4 |
Computed by PubChem (NCBI)
Synonyms:
orb2565413