Chem
J-GLOBAL ID:200907044276758052   Nikkaji number:J2.581.161E

(1R,2R)-1-(tert-Butoxycarbonylamino)-2-[(5S)-3-bromo-2-isoxazoline-5-yl]cyclopropane-1-carboxylic acid

(1R,2R)-1-(tert-ブトキシカルボニルアミノ)-2-[(5S)-3-ブロモ-2-イソオキサゾリン-5-イル]シクロプロパン-1-カルボン酸
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C12H17BrN2O5
Molecular formula furigana: C12-H17-BR-N2-O5
Molecular weight: 349.181
InChI: InChI=1S/C12H17BrN2O5/c1-11(2,3)19-10(18)14-12(9(16)17)5-6(12)7-4-8(13)15-20-7/h6-7H,4-5H2,1-3H3,(H,14,18)(H,16,17)/t6-,7-,12+/m0/s1
InChI key: COTPOACHCASVBO-DJOAAKCGSA-N
SMILES: CC(C)(C)OC(=O)N[C@@]1(C[C@H]1[C@@H]1CC(=NO1)Br)C(=O)O
Systematic name  (3):
  • (1R,2R)-1-(tert-ブトキシカルボニルアミノ)-2-[(5S)-3-ブロモ-2-イソオキサゾリン-5-イル]シクロプロパン-1-カルボン酸
  • (1R,2R)-2-[(5S)-3-ブロモ-4,5-ジヒドロ-1,2-オキサゾール-5-イル]-1-{[(tert-ブトキシ)カルボニル]アミノ}シクロプロパン-1-カルボン酸
  • (1R,2R)-2-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]-1-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylic acid
Other name (1):
  • (1R,2R)-1-(tert-Butoxycarbonylamino)-2-[(5S)-3-bromo-2-isoxazoline-5-yl]cyclopropane-1-carboxylic acid
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