Chem
J-GLOBAL ID:200907087744528338
Nikkaji number:J55.623H
Spadicomycin
スパジコマイシン
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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:
C16 H16 N3 NaO5 S
Molecular formula furigana:
C16-H16-N3-NA-O5-S
Molecular weight:
385.370
InChI:
InChI=1S/C16H17N3O5S.Na/c1-8-2-4-10-13(14(8)21)18-15(25(23)24)11-6-9(3-5-12(17)20)7-19(11)16(10)22;/h2-5,7,11,15,18,21H,6H2,1H3,(H2,17,20)(H,23,24);/q;+1/p-1
InChI key:
DNARPZWMWXTMSK-UHFFFAOYSA-M
SMILES:
Cc1ccc2c(NC(C3CC(=CN3C2=O)C=CC(=O)N)S(=O)O[Na])c1O
Systematic name (3):
2-(3-アミノ-3-オキソ-1-プロペニル)-5,10,11,11a-テトラヒドロ-9-ヒドロキシ-8-メチル-5-オキソ-1H-ピロロ[2,1-c][1,4]ベンゾジアゼピン-11-スルフィン酸ナトリウム
ナトリウム 5-(2-カルバモイルエタ-1-エン-1-イル)-11-ヒドロキシ-12-メチル-2-オキソ-3,9-ジアザトリシクロ[8.4.0.03,7 ]テトラデカ-1(14),4,10,12-テトラエン-8-スルフィナート
sodium 5-(2-carbamoyleth-1-en-1-yl)-11-hydroxy-12-methyl-2-oxo-3,9-diazatricyclo[8.4.0.03,7 ]tetradeca-1(14),4,10,12-tetraene-8-sulfinate
Other name (3):
スパジコマイシン
Spadicomycin
2-(3-Amino-3-oxo-1-propenyl)-5,10,11,11a-tetrahydro-9-hydroxy-8-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepine-11-sulfinic acid sodium salt
CAS registry number:
87037-81-8
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