Chem
J-GLOBAL ID:200907079869694687   Nikkaji number:J1.930.522H

(4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-[N-Methyl-N-(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

(4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-[N-メチル-N-(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
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(26-7-13)20(33)29-5-4-12(9-29)28(3)15(32)8-27-23(24)25/h10-14,16-17,26,31H,4-9H2,1-3H3,(H,35,36)(H4,24,25,27)/t10-,11-,12+,13+,14+,16-,17-/m1/s1
InChI key: SIOTXAXQMYMRSW-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]1CN[C@@H](C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)CNC(=N)N
Systematic name  (3):
  • (4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-[N-メチル-N-(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-N-メチルアセトアミド)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-(2-carbamimidamido-N-methylacetamido)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-[N-Methyl-N-(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
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