Chem
J-GLOBAL ID：200907067208427560   Nikkaji number：J1.930.521J

(4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-[(4-Guanidinobutanoyl)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-[(4-グアニジノブタノイル)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： C24H37N7O6S
Molecular formula furigana： C24-H37-N7-O6-S
Molecular weight： 551.660
InChI： InChI=1S/C24H37N7O6S/c1-11-18-17(12(2)32)22(35)31(18)19(23(36)37)20(11)38-14-8-15(28-9-14)21(34)30-7-5-13(10-30)29-16(33)4-3-6-27-24(25)26/h11-15,17-18,28,32H,3-10H2,1-2H3,(H,29,33)(H,36,37)(H4,25,26,27)/t11-,12-,13+,14+,15+,17-,18-/m1/s1
InChI key： LHQZPBZVSNIUAA-KTZYKIHCSA-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)CCCNC(=N)N
Systematic name  (3)：
  • (4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-[(4-グアニジノブタノイル)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-(4-カルバムイミドアミドブタンアミド)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-(4-carbamimidamidobutanamido)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-[(4-Guanidinobutanoyl)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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