Chem
J-GLOBAL ID：200907060936179242   Nikkaji number：J1.606.261H

CS-023

CS-023
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： C23H35N7O6S
Molecular formula furigana： C23-H35-N7-O6-S
Molecular weight： 537.640
InChI： InChI=1S/C23H35N7O6S/c1-10-17-16(11(2)31)21(34)30(17)18(22(35)36)19(10)37-13-6-14(28(3)9-13)20(33)29-5-4-12(8-29)27-15(32)7-26-23(24)25/h10-14,16-17,31H,4-9H2,1-3H3,(H,27,32)(H,35,36)(H4,24,25,26)/t10-,11-,12+,13+,14+,16-,17-/m1/s1
InChI key： KEDAXBWZURNCHS-GPODMPQUSA-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(=O)CNC(=N)N
Systematic name  (3)：
  • (4R,5S,6S)-3-[[(2S,4S)-1-メチル-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]-1-メチルピロリジン-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]-1-methylpyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Other name (3)：
  • (4R,5S,6S)-3-[[(2S,4S)-1-Methyl-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
  • R-115685
  • CS-023
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