(alphaS,6R,7S)-6,7,8,8a-tetrahydro-6,7,8a-trihydroxy-2-(methylthio)-alpha-(((phenylmethoxy)carbonyl)amino)-imidazo(4,5-b)azepine-4(5H)-hexanoic Acid Phenylmethyl Ester

cas: 2089036-71-3 — see every product listed under this CAS number, including other names

(alphaS,6R,7S)-6,7,8,8a-tetrahydro-6,7,8a-trihydroxy-2-(methylthio)-alpha-(((phenylmethoxy)carbonyl)amino)-imidazo(4,5-b)azepine-4(5H)-hexanoic Acid Phenylmethyl Ester (CAS 2089036-71-3) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-T294518-100MG
cas2089036-71-3
size100mg
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Structural formula: {0} (CAS {1})

Benzyl (2S)-6-[(6R,7S)-6,7,8a-trihydroxy-2-methylsulfanyl-5,6,7,8-tetrahydroimidazo[4,5-b]azepin-4-yl]-2-(phenylmethoxycarbonylamino)hexanoate (CAS 2089036-71-3) is a chemical compound with the molecular formula C29H36N4O7S and a molecular weight of 584.7 g/mol. IUPAC name: benzyl (2S)-6-[(6R,7S)-6,7,8a-trihydroxy-2-methylsulfanyl-5,6,7,8-tetrahydroimidazo[4,5-b]azepin-4-yl]-2-(phenylmethoxycarbonylamino)hexanoate. InChIKey: QZFSMFFINMAREL-OCMFMIAJSA-N.

Identity
Molecular formulaC29H36N4O7S
Molecular weight584.7 g/mol
IUPAC namebenzyl (2S)-6-[(6R,7S)-6,7,8a-trihydroxy-2-methylsulfanyl-5,6,7,8-tetrahydroimidazo[4,5-b]azepin-4-yl]-2-(phenylmethoxycarbonylamino)hexanoate
InChIKeyQZFSMFFINMAREL-OCMFMIAJSA-N
SMILESCSC1=NC2(C[C@@H]([C@@H](CN(C2=N1)CCCC[C@@H](C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O)O)O

Computed by PubChem (NCBI)