Chem
J-GLOBAL ID:201107015570413789
Nikkaji number:J2.954.036E
5-[(3R)-1-(1-Methyl-1H-imidazole-5-ylmethyl)-3β-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-yl]-2-furancarbaldehyde
5-[(3R)-1-(1-メチル-1H-イミダゾール-5-イルメチル)-3β-(4-ヒドロキシベンジル)-4-[(4-メトキシフェニル)スルホニル]-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-7-イル]-2-フランカルボアルデヒド
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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:
C33 H32 N4 O6 S
Molecular formula furigana:
C33-H32-N4-O6-S
Molecular weight:
612.700
InChI:
InChI=1S/C33H32N4O6S/c1-35-22-34-17-27(35)20-36-19-26(15-23-3-6-28(39)7-4-23)37(44(40,41)31-11-8-29(42-2)9-12-31)18-25-16-24(5-13-32(25)36)33-14-10-30(21-38)43-33/h3-14,16-17,21-22,26,39H,15,18-20H2,1-2H3/t26-/m1/s1
InChI key:
HXGORCFYRJWSGR-AREMUKBSSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N1Cc2cc(ccc2N(Cc2cncn2C)C[C@H]1Cc1ccc(O)cc1)c1ccc(C=O)o1
Systematic name (3):
5-[(3R)-1-(1-メチル-1H-イミダゾール-5-イルメチル)-3β-(4-ヒドロキシベンジル)-4-[(4-メトキシフェニル)スルホニル]-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-7-イル]-2-フランカルボアルデヒド
5-[(3R)-3-[(4-ヒドロキシフェニル)メチル]-4-(4-メトキシベンゼンスルホニル)-1-[(1-メチル-1H-イミダゾール-5-イル)メチル]-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-7-イル]フラン-2-カルバルデヒド
5-[(3R)-3-[(4-hydroxyphenyl)methyl]-4-(4-methoxybenzenesulfonyl)-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl]furan-2-carbaldehyde
Other name (1):
5-[(3R)-1-(1-Methyl-1H-imidazole-5-ylmethyl)-3β-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-yl]-2-furancarbaldehyde
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