Chem
J-GLOBAL ID：200907032618155195   Nikkaji number：J1.930.513I

(4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-(Guanidinomethyl)-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-(グアニジノメチル)-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： C21H32N6O5S
Molecular formula furigana： C21-H32-N6-O5-S
Molecular weight： 480.580
InChI： InChI=1S/C21H32N6O5S/c1-9-15-14(10(2)28)19(30)27(15)16(20(31)32)17(9)33-12-5-13(24-7-12)18(29)26-4-3-11(8-26)6-25-21(22)23/h9-15,24,28H,3-8H2,1-2H3,(H,31,32)(H4,22,23,25)/t9-,10-,11+,12+,13+,14-,15-/m1/s1
InChI key： USAPYJZBHZVAIO-UBRSESRLSA-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](CNC(=N)N)C1
Systematic name  (3)：
  • (4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-(グアニジノメチル)-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-(カルバムイミドアミドメチル)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-(carbamimidamidomethyl)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-(Guanidinomethyl)-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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