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

CAS Registry Number®

54275-93-3

CAS Name

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

Molecular Formula

C23H23N3O7S

Molecular Mass

485.51

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-, (4-nitrophenyl)methyl ester, 4-oxide, (2S,4S,5R,6R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54275-93-3 (retrieved 2024-11-10) (CAS RN: 54275-93-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H23N3O7S/c1-23(2)19(22(29)33-13-15-8-10-16(11-9-15)26(30)31)25-20(28)18(21(25)34(23)32)24-17(27)12-14-6-4-3-5-7-14/h3-11,18-19,21H,12-13H2,1-2H3,(H,24,27)/t18-,19+,21-,34-/m1/s1

InChIKey

InChIKey=LDSFHWZIWJYFQI-JFARRRJASA-N

SMILES

N(C(CC1=CC=CC=C1)=O)[C@H]2[C@@]3(N([C@@H](C(OCC4=CC=C(N(=O)=O)C=C4)=O)C(C)(C)S3=O)C2=O)[H]

Canonical SMILES

O=C(OCC1=CC=C(C=C1)N(=O)=O)C2N3C(=O)C(NC(=O)CC=4C=CC=CC4)C3S(=O)C2(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-, (4-nitrophenyl)methyl ester, 4-oxide, (2S,4S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2α,5α,6β)]-, (4-nitrophenyl)methyl ester, 4-oxide, (4β)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, (4-nitrophenyl)methyl ester, 4-oxide, (4S)-

CAS INSIGHTSTM
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