Chem
J-GLOBAL ID:200907017540624224   Nikkaji number:J2.006.538I

(7R)-3-(1-Hydroxy-2,2-dimethyl-3-butenyl)-7-[(α-oxophenethyl)amino]cepham-3-ene-4-carboxylic acid lactone

(7R)-3-(1-ヒドロキシ-2,2-ジメチル-3-ブテニル)-7-[(α-オキソフェネチル)アミノ]セファム-3-エン-4-カルボン酸ラクトン
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: C21H22N2O4S
Molecular formula furigana: C21-H22-N2-O4-S
Molecular weight: 398.480
InChI: InChI=1S/C21H22N2O4S/c1-4-21(2,3)17-13-11-28-19-15(18(25)23(19)16(13)20(26)27-17)22-14(24)10-12-8-6-5-7-9-12/h4-9,15,17,19H,1,10-11H2,2-3H3,(H,22,24)/t15-,17?,19-/m1/s1
InChI key: CYKKZTOWJONVLJ-WUKPUPCQSA-N
SMILES: CC(C)(C=C)C1OC(=O)C2=C1CS[C@@H]1[C@H](NC(=O)Cc3ccccc3)C(=O)N21
Systematic name  (3):
  • (7R)-3-(1-ヒドロキシ-2,2-ジメチル-3-ブテニル)-7-[(α-オキソフェネチル)アミノ]セファム-3-エン-4-カルボン酸ラクトン
  • N-[(4R,5R)-9-(2-メチルブタ-3-エン-2-イル)-3,11-ジオキソ-10-オキサ-6-チア-2-アザトリシクロ[6.3.0.02,5]ウンデカ-1(8)-エン-4-イル]-2-フェニルアセトアミド
  • N-[(4R,5R)-9-(2-methylbut-3-en-2-yl)-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]-2-phenylacetamide
Other name (1):
  • (7R)-3-(1-Hydroxy-2,2-dimethyl-3-butenyl)-7-[(α-oxophenethyl)amino]cepham-3-ene-4-carboxylic acid lactone
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