Chem
J-GLOBAL ID:200907054182726799
Nikkaji number:J660.155C
SM-17466
1-[(アミノカルボニル)メチル]-4-[2-[[(4R,5S,6S)-6-[(R)-1-ヒドロキシエチル]-2-カルボキシラト-4-メチル-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-2-エン-3-イル]チオ]チアゾール-4-イル]ピリジニウム
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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:
C20 H20 N3 [N+]O4 [O-]S2
Molecular formula furigana:
C20-H20-N4-O5-S2
Molecular weight:
460.520
InChI:
InChI=1S/C20H20N4O5S2/c1-9-15-14(10(2)25)18(27)24(15)16(19(28)29)17(9)31-20-22-12(8-30-20)11-3-5-23(6-4-11)7-13(21)26/h3-6,8-10,14-15,25H,7H2,1-2H3,(H2-,21,26,28,29)/t9-,10-,14-,15-/m1/s1
InChI key:
RRTBMNWYYYTAEH-XEQNPHJVSA-N
SMILES:
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)[O-])Sc1nc(cs1)c1cc[n+](CC(=O)N)cc1
Systematic name (3):
1-[(アミノカルボニル)メチル]-4-[2-[[(4R,5S,6S)-6-[(R)-1-ヒドロキシエチル]-2-カルボキシラト-4-メチル-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-2-エン-3-イル]チオ]チアゾール-4-イル]ピリジニウム
1-(カルバモイルメチル)-4-(2-{[(4R,5S,6S)-2-カルボキシラト-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-3-イル]スルファニル}-1,3-チアゾール-4-イル)ピリジン-1-イウム
1-(carbamoylmethyl)-4-(2-{[(4R,5S,6S)-2-carboxylato-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)pyridin-1-ium
Other name (2):
SM-17466
1-[(Aminocarbonyl)methyl]-4-[2-[[(4R,5S,6S)-6-[(R)-1-hydroxyethyl]-2-carboxylato-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]thiazol-4-yl]pyridinium
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