Chem
J-GLOBAL ID：200907000330729597   Nikkaji number：J789.651D

(5S)-3-[2-[[(7aR)-1-Oxo-3,3-dimethylhexahydro-1H-pyrrolo[1,2-c]imidazol]-2-yl]ethylthio]-4α-methyl-6β-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5S)-3-[2-[[(7aR)-1-オキソ-3,3-ジメチルヘキサヒドロ-1H-ピロロ[1,2-c]イミダゾール]-2-イル]エチルチオ]-4α-メチル-6β-[(R)-1-ヒドロキシエチル]-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-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： C20H29N3O5S
Molecular formula furigana： C20-H29-N3-O5-S
Molecular weight： 423.530
InChI： InChI=1S/C20H29N3O5S/c1-10-14-13(11(2)24)18(26)23(14)15(19(27)28)16(10)29-9-8-22-17(25)12-6-5-7-21(12)20(22,3)4/h10-14,24H,5-9H2,1-4H3,(H,27,28)/t10-,11-,12-,13-,14-/m1/s1
InChI key： BNFSXPRMIIXQSU-DHGKCCLASA-N
SMILES： C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)SCCN1C(=O)[C@H]2CCCN2C1(C)C
Systematic name  (3)：
  • (5S)-3-[2-[[(7aR)-1-オキソ-3,3-ジメチルヘキサヒドロ-1H-ピロロ[1,2-c]イミダゾール]-2-イル]エチルチオ]-4α-メチル-6β-[(R)-1-ヒドロキシエチル]-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボン酸
  • (4R,5S,6S)-3-({2-[(7aR)-3,3-ジメチル-1-オキソ-ヘキサヒドロ-1H-ピロロ[1,2-c]イミダゾール-2-イル]エチル}スルファニル)-6-[(1R)-1-ヒドロキシエチル]-4-メチル-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボン酸
  • (4R,5S,6S)-3-({2-[(7aR)-3,3-dimethyl-1-oxo-hexahydro-1H-pyrrolo[1,2-c]imidazol-2-yl]ethyl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Other name (1)：
  • (5S)-3-[2-[[(7aR)-1-Oxo-3,3-dimethylhexahydro-1H-pyrrolo[1,2-c]imidazol]-2-yl]ethylthio]-4α-methyl-6β-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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