Ditekiren

cas: 103336-05-6 — see every product listed under this CAS number, including other names

Ditekiren (CAS 103336-05-6) is a chemical reagent available from Chemat. Available pack sizes: 25mg, Get quote. Offered by: TRC, MedChemExpress.

brandTRC
catalog numberTRC-D493685-25MG
cas103336-05-6
size25mg
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Structural formula: {0} (CAS {1})

Tert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-[[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (CAS 103336-05-6) is a chemical compound with the molecular formula C50H75N9O8 and a molecular weight of 930.2 g/mol. IUPAC name: tert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-[[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate. InChIKey: SASWSEQJAITMKS-JJNNLWIXSA-N.

Identity
Molecular formulaC50H75N9O8
Molecular weight930.2 g/mol
IUPAC nametert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-[[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
InChIKeySASWSEQJAITMKS-JJNNLWIXSA-N
SMILESCC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)N(C)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)O)C(C)C

Computed by PubChem (NCBI)

Synonyms: Ditekiren, Boc-Pro-Phe-N-MeHis-Leu(psi)(CHOHCH2)Val-Ile-2-aminomethylpyridine, Ditekirene, Aphidicolin-3alpha,18-acetonide, Ditekiren (USAN), DITEKIREN [USAN], Ditekirenum, Ditiquireno, Ditekiren [USAN:INN], Ditekirene [INN-French]
Related forms of this compound
tert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-[[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate C50H75N9O8