Chem
J-GLOBAL ID:200907020366147900
Nikkaji number:J188.400J
Propicillin
プロピシリン
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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:
C18 H22 N2 O5 S
Molecular formula furigana:
C18-H22-N2-O5-S
Molecular weight:
378.440
InChI:
InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11?,12-,13+,16-/m1/s1
InChI key:
HOCWPKXKMNXINF-XQERAMJGSA-N
SMILES:
CCC(Oc1ccccc1)C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)O
Systematic name (4):
(6R)-6-[(1-オキソ-2-フェノキシブチル)アミノ]ペニシラン酸
(2S,5β)-3,3-ジメチル-7-オキソ-6α-[(1-オキソ-2-フェノキシブチル)アミノ]-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸
(2S,5R,6R)-3,3-ジメチル-7-オキソ-6-(2-フェノキシブタンアミド)-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボン酸
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxybutanamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Other name (3):
(2S,5β)-3,3-Dimethyl-7-oxo-6α-[(1-oxo-2-phenoxybutyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid
プロピシリン
Propicillin
CAS registry number:
551-27-9
Regulation number (1):
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