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Glycine, (2r)-N-[[[3,3-Dibutyl-2,3,4,5-Tetrahydro-7-(Methylthio)-1,1-Dioxido-5-Phenyl-1,5-Benzothiazepin-8-Yl]Oxy]Acetyl]-2-Phenylglycyl-, 1,1-Dimethylethyl Ester (9ci)

Error correction

Glycine, (2R)-N-[[[3,3-Dibutyl-2,3,4,5-Tetrahydro-7-(Methylthio)-1,1-Dioxido-5-Phenyl-1,5-Benzothiazepin-8-yl]oxy]Acetyl]-2-Phenylglycyl-, 1,1-Dimethylethyl Ester (9CI) / CAS : 439088-54-7

Appearance - UN -
HS 29420000 DG Class -
Synonyms 1,1-Dioxo-3,3-Dibutyl-5-Phenyl-7-Methylthio-8-(N-{(R)-1'-Phenyl-1'-[N'-(t-Butoxycarbonylmethyl)Carbamoyl]Methyl}Carbamoylmethoxy)-2,3,4,5-Tetrahydro-1,5-Benzothiazepine; 3,3-Dibutyl-7-Methylthio-8-[N-((R)-Alpha-[N'-(ter-Butoxycarbonylmethyl)Carbomyl]Benzyl)Carbomylmethoxy]-5-Phenyl-2,3,4,5-Tetrahydro-Benzo[b][1,4]Thiazepine 1,1-Dioxide
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Properties

Summary

Formula
C40H53N3O7S2
Molecular Mass
751.99500
Exact Mass
751.33200
PSA
164.79000
Logp
9.32250
IUPAC
tert-butyl 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]acetate
SMILES
CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)OCC(=O)N[C@H](C3=CC=CC=C3)C(=O)NCC(=O)OC(C)(C)C)SC)C4=CC=CC=C4)CCCC

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Density
1.24±0.1 g/cm3(Predicted)
Boiling Point
928.4±65.0 °C(Predicted)

Export information

HS Code
29420000
Export Rebate
13%

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