Products 2649490-34-4
CAS 2649490-34-4 is the registry number for p-SCN-Bn-PCTA (hydrochloride). Offered by: MedChemExpress. Available pack sizes: Get quote.
2-[(4S)-3,9-bis(carboxymethyl)-4-[(4-isothiocyanatophenyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]acetic acid;trihydrochloride (CAS 2649490-34-4) is a chemical compound with the molecular formula C25H32Cl3N5O6S and a molecular weight of 637.0 g/mol. IUPAC name: 2-[(4S)-3,9-bis(carboxymethyl)-4-[(4-isothiocyanatophenyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]acetic acid;trihydrochloride. InChIKey: OKAAFRRYKFQFDW-NNUMAELLSA-N.
| Molecular formula | C25H32Cl3N5O6S |
|---|---|
| Molecular weight | 637.0 g/mol |
| IUPAC name | 2-[(4S)-3,9-bis(carboxymethyl)-4-[(4-isothiocyanatophenyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]acetic acid;trihydrochloride |
| InChIKey | OKAAFRRYKFQFDW-NNUMAELLSA-N |
| SMILES | C1CN(CC2=NC(=CC=C2)CN([C@H](CN1CC(=O)O)CC3=CC=C(C=C3)N=C=S)CC(=O)O)CC(=O)O.Cl.Cl.Cl |
Computed by PubChem (NCBI)
Synonyms:
p-SCN-Bn-PCTA (hydrochloride), orb2942175