(3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,4-dihydro-4-oxo-1,5-benzothiazepine-5(2H)-acetic acid

CAS Registry Number®

250349-14-5
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CAS Name

(3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,4-dihydro-4-oxo-1,5-benzothiazepine-5(2H)-acetic acid

Molecular Formula

C16H20N2O5S

Molecular Mass

352.41

Cite this Page

(3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,4-dihydro-4-oxo-1,5-benzothiazepine-5(2H)-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=250349-14-5 (retrieved 2024-09-10) (CAS RN: 250349-14-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    110-112 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H20N2O5S/c1-16(2,3)23-15(22)17-10-9-24-12-7-5-4-6-11(12)18(14(10)21)8-13(19)20/h4-7,10H,8-9H2,1-3H3,(H,17,22)(H,19,20)/t10-/m0/s1

InChIKey

InChIKey=BNDWQYMZOLVICH-JTQLQIEISA-N

SMILES

C(C(O)=O)N1C=2C(SC[C@H](NC(OC(C)(C)C)=O)C1=O)=CC=CC2

Canonical SMILES

O=C(OC(C)(C)C)NC1C(=O)N(C=2C=CC=CC2SC1)CC(=O)O

Other Names for this Substance

  • 1,5-Benzothiazepine-5(2H)-acetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-3,4-dihydro-4-oxo-, (3R)-
  • (3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,4-dihydro-4-oxo-1,5-benzothiazepine-5(2H)-acetic acid