Chem
J-GLOBAL ID：200907093641036194
Nikkaji number：J747.518G
(4R,5β)-3-[[(3S)-5β-Carbamoylpyrrolidin-3β-yl]thio]-6β-[(R)-1-hydroxyethyl]-4α-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(4R,5β)-3-[[(3S)-5β-カルバモイルピロリジン-3β-イル]チオ]-6β-[(R)-1-ヒドロキシエチル]-4α-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
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
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
Molecular formula： C15H21N3O5S
Molecular formula furigana： C15-H21-N3-O5-S
Molecular weight： 355.410
InChI：
InChI=1S/C15H21N3O5S/c1-5-10-9(6(2)19)14(21)18(10)11(15(22)23)12(5)24-7-3-8(13(16)20)17-4-7/h5-10,17,19H,3-4H2,1-2H3,(H2,16,20)(H,22,23)/t5-,6-,7+,8+,9-,10-/m1/s1
InChI key：
PYMGGHYWYIWWQW-NRNPDCPVSA-N
SMILES：
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@@H]1CN[C@@H](C1)C(=O)N
Systematic name (3)：
- (4R,5β)-3-[[(3S)-5β-カルバモイルピロリジン-3β-イル]チオ]-6β-[(R)-1-ヒドロキシエチル]-4α-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-{[(3S,5S)-5-カルバモイルピロリジン-3-イル]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-{[(3S,5S)-5-carbamoylpyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- (4R,5β)-3-[[(3S)-5β-Carbamoylpyrrolidin-3β-yl]thio]-6β-[(R)-1-hydroxyethyl]-4α-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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