Chem
J-GLOBAL ID:200907001754490752
Nikkaji number:J1.582.603G
(6R)-6α-(4-Nitrobenzylideneamino)-6-methylpenicillanic acid benzyl ester
(6R)-6α-(4-ニトロベンジリデンアミノ)-6-メチルペニシラン酸ベンジル
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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 H23 N2 [N+]O4 [O-]S
Molecular formula furigana:
C23-H23-N3-O5-S
Molecular weight:
453.510
InChI:
InChI=1S/C23H23N3O5S/c1-22(2)18(19(27)31-14-16-7-5-4-6-8-16)25-20(28)23(3,21(25)32-22)24-13-15-9-11-17(12-10-15)26(29)30/h4-13,18,21H,14H2,1-3H3/t18-,21+,23+/m0/s1
InChI key:
QXVNAZJXIVTTGR-QTGUNEKASA-N
SMILES:
C[C@]1(N=Cc2ccc(cc2)[N+](=O)[O-])[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)OCc1ccccc1
Systematic name (3):
(6R)-6α-(4-ニトロベンジリデンアミノ)-6-メチルペニシラン酸ベンジル
ベンジル (2S,5R,6R)-3,3,6-トリメチル-6-{[(4-ニトロフェニル)メチリデン]アミノ}-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボキシラート
benzyl (2S,5R,6R)-3,3,6-trimethyl-6-{[(4-nitrophenyl)methylidene]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Other name (1):
(6R)-6α-(4-Nitrobenzylideneamino)-6-methylpenicillanic acid benzyl ester
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