Chem
J-GLOBAL ID：200907039292439354   Nikkaji number：J1.930.531G

(4R,5S,6S)-3-[[(2S,4S)-1-Methyl-2-[[(3S)-3-(3-guanidinopropyl)-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)-1-メチル-2-[[(3S)-3-(3-グアニジノプロピル)-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： C24H38N6O5S
Molecular formula furigana： C24-H38-N6-O5-S
Molecular weight： 522.669
InChI： InChI=1S/C24H38N6O5S/c1-12-18-17(13(2)31)22(33)30(18)19(23(34)35)20(12)36-15-9-16(28(3)11-15)21(32)29-8-6-14(10-29)5-4-7-27-24(25)26/h12-18,31H,4-11H2,1-3H3,(H,34,35)(H4,25,26,27)/t12-,13-,14+,15+,16+,17-,18-/m1/s1
InChI key： IQHRBGZQYUCGRV-KHQOANHYSA-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](CCCNC(=N)N)C1
Systematic name  (3)：
  • (4R,5S,6S)-3-[[(2S,4S)-1-メチル-2-[[(3S)-3-(3-グアニジノプロピル)-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-(3-カルバムイミドアミドプロピル)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-(3-carbamimidamidopropyl)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 (1)：
  • (4R,5S,6S)-3-[[(2S,4S)-1-Methyl-2-[[(3S)-3-(3-guanidinopropyl)-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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