Chem
J-GLOBAL ID:200907020311960017
Nikkaji number:J1.930.515E
(4R,5S,6S)-3-[[(2S,4S)-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)-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
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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:
C23 H36 N6 O5 S
Molecular formula furigana:
C23-H36-N6-O5-S
Molecular weight:
508.640
InChI:
InChI=1S/C23H36N6O5S/c1-11-17-16(12(2)30)21(32)29(17)18(22(33)34)19(11)35-14-8-15(27-9-14)20(31)28-7-5-13(10-28)4-3-6-26-23(24)25/h11-17,27,30H,3-10H2,1-2H3,(H,33,34)(H4,24,25,26)/t11-,12-,13+,14+,15+,16-,17-/m1/s1
InChI key:
BGOVXOPGFJEWIH-BEPHGODMSA-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](CCCNC(=N)N)C1
Systematic name (3):
(4R,5S,6S)-3-[[(2S,4S)-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]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]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-(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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