Chem
J-GLOBAL ID：200907074683023330   Nikkaji number：J1.930.511B

(4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-[[N-(1-Iminoethyl)amino]methyl]-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-{[(3S,5S)-5-[(3S)-3-(エタン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
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： C22H33N5O5S
Molecular formula furigana： C22-H33-N5-O5-S
Molecular weight： 479.600
InChI： InChI=1S/C22H33N5O5S/c1-10-17-16(11(2)28)21(30)27(17)18(22(31)32)19(10)33-14-6-15(25-8-14)20(29)26-5-4-13(9-26)7-24-12(3)23/h10-11,13-17,25,28H,4-9H2,1-3H3,(H2,23,24)(H,31,32)/t10-,11-,13+,14+,15+,16-,17-/m1/s1
InChI key： PNNOINWANOHLQU-UXYQDUMKSA-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)C)C1
Systematic name  (3)：
  • (4R,5S,6S)-3-[[(2S,4S)-2-[[(3S)-3-[[N-(1-イミノエチル)アミノ]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-(エタン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-(ethanimidamidomethyl)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-(1-Iminoethyl)amino]methyl]-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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