Chem
J-GLOBAL ID:201007031637336731
Nikkaji number:J2.801.782K
N-[(2S,3R)-2-Methyl-3-[(4-nitrophenyl)amino]-5-phenyl-4-pentenyl]carbamic acid benzyl ester
N-[(2S,3R)-2-メチル-3-[(4-ニトロフェニル)アミノ]-5-フェニル-4-ペンテニル]カルバミド酸ベンジル
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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:
C26 H27 N2 [N+]O3 [O-]
Molecular formula furigana:
C26-H27-N3-O4
Molecular weight:
445.519
InChI:
InChI=1S/C26H27N3O4/c1-20(18-27-26(30)33-19-22-10-6-3-7-11-22)25(17-12-21-8-4-2-5-9-21)28-23-13-15-24(16-14-23)29(31)32/h2-17,20,25,28H,18-19H2,1H3,(H,27,30)/t20-,25+/m0/s1
InChI key:
BMNSTCZXLCFPLA-NBGIEHNGSA-N
SMILES:
C[C@@H](CNC(=O)OCc1ccccc1)[C@H](Nc1ccc(cc1)[N+](=O)[O-])C=Cc1ccccc1
Systematic name (3):
N-[(2S,3R)-2-メチル-3-[(4-ニトロフェニル)アミノ]-5-フェニル-4-ペンテニル]カルバミド酸ベンジル
ベンジル N-[(2S,3R)-2-メチル-3-[(4-ニトロフェニル)アミノ]-5-フェニルペンタ-4-エン-1-イル]カルバマート
benzyl N-[(2S,3R)-2-methyl-3-[(4-nitrophenyl)amino]-5-phenylpent-4-en-1-yl]carbamate
Other name (1):
N-[(2S,3R)-2-Methyl-3-[(4-nitrophenyl)amino]-5-phenyl-4-pentenyl]carbamic acid benzyl ester
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