Diphenylmethyl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS Registry Number®

400827-68-1
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CAS Name

Diphenylmethyl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Molecular Formula

C36H28N4O4S3

Molecular Mass

676.83

Cite this Page

Diphenylmethyl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=400827-68-1 (retrieved 2024-07-02) (CAS RN: 400827-68-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H28N4O4S3/c41-29(20-23-10-4-1-5-11-23)39-30-33(42)40-31(35(43)44-32(25-12-6-2-7-13-25)26-14-8-3-9-15-26)28(22-45-34(30)40)47-36-38-27(21-46-36)24-16-18-37-19-17-24/h1-19,21,30,32,34H,20,22H2,(H,39,41)/t30-,34-/m1/s1

InChIKey

InChIKey=VXJFBSXELWIKCO-KAODMTDESA-N

SMILES

C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)C=3N4[C@@]([C@H](NC(CC5=CC=CC=C5)=O)C4=O)(SCC3SC6=NC(=CS6)C=7C=CN=CC7)[H]

Canonical SMILES

O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C3=C(SC4=NC(=CS4)C=5C=CN=CC5)CSC6N3C(=O)C6NC(=O)CC=7C=CC=CC7

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-, diphenylmethyl ester, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[(phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-, diphenylmethyl ester, (6R,7R)-
  • Diphenylmethyl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate