Chem
J-GLOBAL ID：200907005825527240   Nikkaji number：J1.930.517A

(4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-[(Guanidinoacetyl)amino]-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)-2-[[(3S)-3-[(グアニジノアセチル)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
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： C22H33N7O6S
Molecular formula furigana： C22-H33-N7-O6-S
Molecular weight： 523.610
InChI： InChI=1S/C22H33N7O6S/c1-9-16-15(10(2)30)20(33)29(16)17(21(34)35)18(9)36-12-5-13(25-6-12)19(32)28-4-3-11(8-28)27-14(31)7-26-22(23)24/h9-13,15-16,25,30H,3-8H2,1-2H3,(H,27,31)(H,34,35)(H4,23,24,26)/t9-,10-,11+,12+,13+,15-,16-/m1/s1
InChI key： VSVDGUIRMVQXNP-JXWZREARSA-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)N
Systematic name  (3)：
  • (4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-[(グアニジノアセチル)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-カルバム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-carbamimidamidoacetamido)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-[(Guanidinoacetyl)amino]-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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