Chem
J-GLOBAL ID：200907023785915178   Nikkaji number：J1.930.516C

(4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-[N-(1-Iminoethyl)aminoacetylamino]-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-{[(3S,5S)-5-[(3S)-3-(2-エタンイミドアミドアセトアミド)ピロリジン-1-カルボニル]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
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： C23H34N6O6S
Molecular formula furigana： C23-H34-N6-O6-S
Molecular weight： 522.620
InChI： InChI=1S/C23H34N6O6S/c1-10-18-17(11(2)30)22(33)29(18)19(23(34)35)20(10)36-14-6-15(26-7-14)21(32)28-5-4-13(9-28)27-16(31)8-25-12(3)24/h10-11,13-15,17-18,26,30H,4-9H2,1-3H3,(H2,24,25)(H,27,31)(H,34,35)/t10-,11-,13+,14+,15+,17-,18-/m1/s1
InChI key： NBXJJSFMUJDHNQ-XTGXYHOBSA-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)N1CC[C@@H](C1)NC(=O)CNC(=N)C
Systematic name  (3)：
  • (4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-[N-(1-イミノエチル)アミノアセチルアミノ]-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)-3-{[(3S,5S)-5-[(3S)-3-(2-エタンイミドアミドアセトアミド)ピロリジン-1-カルボニル]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-[(3S)-3-(2-ethanimidamidoacetamido)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Other name (1)：
  • (4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-[N-(1-Iminoethyl)aminoacetylamino]-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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