Products 1807847-98-8

CAS 1807847-98-8 is the registry number for THP-NCS. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

N,N'-bis[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-[3-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methylamino]-3-oxopropyl]-4-[3-[(4-isothiocyanatophenyl)carbamothioylamino]propanoylamino]heptanediamide (CAS 1807847-98-8) is a chemical compound with the molecular formula C66H74N10O10S2 and a molecular weight of 1231.5 g/mol. IUPAC name: N,N'-bis[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-[3-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methylamino]-3-oxopropyl]-4-[3-[(4-isothiocyanatophenyl)carbamothioylamino]propanoylamino]heptanediamide. InChIKey: QNJZPMOAYGHWKR-UHFFFAOYSA-N.

Identity
Molecular formulaC66H74N10O10S2
Molecular weight1231.5 g/mol
IUPAC nameN,N'-bis[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-[3-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methylamino]-3-oxopropyl]-4-[3-[(4-isothiocyanatophenyl)carbamothioylamino]propanoylamino]heptanediamide
InChIKeyQNJZPMOAYGHWKR-UHFFFAOYSA-N
SMILESCC1=CC(=O)C(=C(N1C)CNC(=O)CCC(CCC(=O)NCC2=C(C(=O)C=C(N2C)C)OCC3=CC=CC=C3)(CCC(=O)NCC4=C(C(=O)C=C(N4C)C)OCC5=CC=CC=C5)NC(=O)CCNC(=S)NC6=CC=C(C=C6)N=C=S)OCC7=CC=CC=C7

Computed by PubChem (NCBI)

Synonyms: THP-NCS, orb2942363