Chem
J-GLOBAL ID：200907028522009581   Nikkaji number：J1.930.525B

(4R,5S,6S)-3-[[(2S,4S)-1-Methyl-2-[[(3S)-3-(iminomethylamino)-1-pyrrolidinyl]carbonyl]-4-pyrrolidinyl]thio]-4-methyl-6-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid

(4R,5S,6S)-3-[[(2S,4S)-1-メチル-2-[[(3S)-3-(イミノメチルアミノ)-1-ピロリジニル]カルボニル]-4-ピロリジニル]チオ]-4-メチル-6-[(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： C21H31N5O5S
Molecular formula furigana： C21-H31-N5-O5-S
Molecular weight： 465.570
InChI： InChI=1S/C21H31N5O5S/c1-10-16-15(11(2)27)20(29)26(16)17(21(30)31)18(10)32-13-6-14(24(3)8-13)19(28)25-5-4-12(7-25)23-9-22/h9-16,27H,4-8H2,1-3H3,(H2,22,23)(H,30,31)/t10-,11-,12+,13+,14+,15-,16-/m1/s1
InChI key： YYRUXILZKVKRGS-FFNDWZFNSA-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]1C[C@H](N(C)C1)C(=O)N1CC[C@@H](C1)NC=N
Systematic name  (3)：
  • (4R,5S,6S)-3-[[(2S,4S)-1-メチル-2-[[(3S)-3-(イミノメチルアミノ)-1-ピロリジニル]カルボニル]-4-ピロリジニル]チオ]-4-メチル-6-[(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)-6-[(1R)-1-ヒドロキシエチル]-3-{[(3S,5S)-5-[(3S)-3-メタンイミドアミドピロリジン-1-カルボニル]-1-メチルピロリジン-3-イル]スルファニル}-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)-6-[(1R)-1-hydroxyethyl]-3-{[(3S,5S)-5-[(3S)-3-methanimidamidopyrrolidine-1-carbonyl]-1-methylpyrrolidin-3-yl]sulfanyl}-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Other name (1)：
  • (4R,5S,6S)-3-[[(2S,4S)-1-Methyl-2-[[(3S)-3-(iminomethylamino)-1-pyrrolidinyl]carbonyl]-4-pyrrolidinyl]thio]-4-methyl-6-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid
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