Chem
J-GLOBAL ID:201007006652593339
Nikkaji number:J2.872.509D
N-[(R)-1-Phenylethyl]-N′-[(1S,2R)-2-hydroxy-1-benzyl-3-[(3-methoxybenzyl)amino]propyl]-5-[methyl(methylsulfonyl)amino]-1,3-benzenedicarboxamide
N-[(R)-1-フェニルエチル]-N′-[(1S,2R)-2-ヒドロキシ-1-ベンジル-3-[(3-メトキシベンジル)アミノ]プロピル]-5-[メチル(メチルスルホニル)アミノ]-1,3-ベンゼンジカルボアミド
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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:
C36 H42 N4 O6 S
Molecular formula furigana:
C36-H42-N4-O6-S
Molecular weight:
658.810
InChI:
InChI=1S/C36H42N4O6S/c1-25(28-15-9-6-10-16-28)38-35(42)29-20-30(22-31(21-29)40(2)47(4,44)45)36(43)39-33(19-26-12-7-5-8-13-26)34(41)24-37-23-27-14-11-17-32(18-27)46-3/h5-18,20-22,25,33-34,37,41H,19,23-24H2,1-4H3,(H,38,42)(H,39,43)/t25-,33+,34-/m1/s1
InChI key:
HIQWWDCRULXYDF-SWROZOJRSA-N
SMILES:
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(=O)(=O)C)c1
Systematic name (3):
N-[(R)-1-フェニルエチル]-N′-[(1S,2R)-2-ヒドロキシ-1-ベンジル-3-[(3-メトキシベンジル)アミノ]プロピル]-5-[メチル(メチルスルホニル)アミノ]-1,3-ベンゼンジカルボアミド
N1-[(2S,3R)-3-ヒドロキシ-4-{[(3-メトキシフェニル)メチル]アミノ}-1-フェニルブタン-2-イル]-5-(N-メチルメタンスルホンアミド)-N3-[(1R)-1-フェニルエチル]ベンゼン-1,3-ジカルボキサミド
N1-[(2S,3R)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-N3-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Other name (1):
N-[(R)-1-Phenylethyl]-N′-[(1S,2R)-2-hydroxy-1-benzyl-3-[(3-methoxybenzyl)amino]propyl]-5-[methyl(methylsulfonyl)amino]-1,3-benzenedicarboxamide
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