(5R,6S)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

CAS Registry Number®

82475-10-3

CAS Name

(5R,6S)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Molecular Formula

C20H31N3O8S

Molecular Mass

473.54

Cite this Page

(5R,6S)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82475-10-3 (retrieved 2025-01-30) (CAS RN: 82475-10-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H31N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-11,14,16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)/t10-,11+,14+,16-/m0/s1

InChIKey

InChIKey=HNLNYXRYILRJHY-CIGZNWKYSA-N

SMILES

[C@@H](C)(O)[C@@]1([C@@]2(N(C(C(O)=O)=C(SCCNC(CCNC([C@@H](C(CO)(C)C)O)=O)=O)C2)C1=O)[H])[H]

Canonical SMILES

O=C(O)C1=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO)CC2N1C(=O)C2C(O)C

Other Names for this Substance

  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[2-[[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-, (5R,6S)-
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxyethyl)-7-oxo-, [5R-[3(R*),5α,6α(S*)]]-
  • (5R,6S)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • Antibiotic OA 6129B2
  • OA-6129B2