Products 439087-68-0

CAS 439087-68-0 appears in our catalog under these names: (S)–Elobixibat, (S)-Elobixibat, 99.53%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 5 mg.

(S)–Elobixibat
GLPBio
  • size: 1mg
  • Variants: 1
from 1818.65
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(S)-Elobixibat, 99.53%
MedChemExpress
  • size: 5 mg
  • Variants: 1
from 3719.10
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Structural formula: {0} (CAS {1})

2-[[(2S)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid (CAS 439087-68-0) is a chemical compound with the molecular formula C36H45N3O7S2 and a molecular weight of 695.9 g/mol. IUPAC name: 2-[[(2S)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid. InChIKey: XFLQIRAKKLNXRQ-UMSFTDKQSA-N.

Identity
Molecular formulaC36H45N3O7S2
Molecular weight695.9 g/mol
IUPAC name2-[[(2S)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid
InChIKeyXFLQIRAKKLNXRQ-UMSFTDKQSA-N
SMILESCCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)OCC(=O)N[C@@H](C3=CC=CC=C3)C(=O)NCC(=O)O)SC)C4=CC=CC=C4)CCCC

Computed by PubChem (NCBI)

Synonyms: (S)-Elobixibat, Elobixibat Impurity 45, orb2564319
Related forms of this compound
2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid C36H45N3O7S2