4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, hydrochloride (1:1), (2S,5R,6R)-

CAS Registry Number®

80734-02-7

CAS Name

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, hydrochloride (1:1), (2S,5R,6R)-

Molecular Formula

C21H23N3O7S.ClH

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, hydrochloride (1:1), (2S,5R,6R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80734-02-7 (retrieved 2024-11-25) (CAS RN: 80734-02-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    145 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C21H23N3O7S.ClH/c1-10-12(31-20(28)30-10)9-29-19(27)15-21(2,3)32-18-14(17(26)24(15)18)23-16(25)13(22)11-7-5-4-6-8-11;/h4-8,13-15,18H,9,22H2,1-3H3,(H,23,25);1H/t13-,14-,15+,18-;/m1./s1

InChIKey

InChIKey=FXXSETTYJSGMCR-GLCLSGQWSA-N

SMILES

C(OCC=1OC(=O)OC1C)(=O)[C@@H]2N3[C@@]([C@H](NC([C@H](N)C4=CC=CC=C4)=O)C3=O)(SC2(C)C)[H].Cl

Canonical SMILES

Cl.O=C1OC(=C(O1)COC(=O)C2N3C(=O)C(NC(=O)C(N)C=4C=CC=CC4)C3SC2(C)C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, hydrochloride (1:1), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, monohydrochloride, [2S-[2α,5α,6β(S*)]]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, monohydrochloride, (2S,5R,6R)-
  • 1,3-Dioxole, 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid deriv.
  • KB 1585

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Deleted or Replaced CAS Registry Numbers

87080-37-3

CAS INSIGHTSTM
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