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

CAS Registry Number®

85414-26-2

CAS Name

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

Molecular Formula

C21H35N3O8S

Molecular Mass

489.58

Cite this Page

(2S,3S,5R,6R)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85414-26-2 (retrieved 2024-11-06) (CAS RN: 85414-26-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H35N3O8S/c1-20(2,10-25)16(27)17(28)23-6-5-13(26)22-7-8-33-12-9-11-14(21(3,4)32)18(29)24(11)15(12)19(30)31/h11-12,14-16,25,27,32H,5-10H2,1-4H3,(H,22,26)(H,23,28)(H,30,31)/t11-,12+,14+,15-,16+/m1/s1

InChIKey

InChIKey=NSMABMGRXUKVDE-IVCRCZCHSA-N

SMILES

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

Canonical SMILES

O=C(O)C1N2C(=O)C(C2CC1SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO)C(O)(C)C

Other Names for this Substance

  • 1-Azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-[[2-[[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxy-1-methylethyl)-7-oxo-, (2S,3S,5R,6R)-
  • 1-Azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-[[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxy-1-methylethyl)-7-oxo-, [2S-[2α,3α(S*),5α,6β]]-
  • (2S,3S,5R,6R)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Antibiotic OA 6129E

CAS INSIGHTSTM
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