Chem
J-GLOBAL ID:200907051149834080   Nikkaji number:J2.006.579F

N-[3-(Phenylsulfonyl)piperidine-3-ylcarbonyl]-4-(2-methoxyphenyl)-L-phenylalanine

N-[3-(フェニルスルホニル)ピペリジン-3-イルカルボニル]-4-(2-メトキシフェニル)-L-フェニルアラニン
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: C28H30N2O6S
Molecular formula furigana: C28-H30-N2-O6-S
Molecular weight: 522.620
InChI: InChI=1S/C28H30N2O6S/c1-36-25-11-6-5-10-23(25)21-14-12-20(13-15-21)18-24(26(31)32)30-27(33)28(16-7-17-29-19-28)37(34,35)22-8-3-2-4-9-22/h2-6,8-15,24,29H,7,16-19H2,1H3,(H,30,33)(H,31,32)/t24-,28?/m0/s1
InChI key: ACPZTVFLIFYRRX-ZZDYIDRTSA-N
SMILES: COc1ccccc1c1ccc(C[C@H](NC(=O)C2(CCCNC2)S(=O)(=O)c2ccccc2)C(=O)O)cc1
Systematic name  (3):
  • N-[3-(フェニルスルホニル)ピペリジン-3-イルカルボニル]-4-(2-メトキシフェニル)-L-フェニルアラニン
  • (2S)-2-{[3-(ベンゼンスルホニル)ピペリジン-3-イル]ホルムアミド}-3-{2'-メトキシ-[1,1'-ビフェニル]-4-イル}プロパン酸
  • (2S)-2-{[3-(benzenesulfonyl)piperidin-3-yl]formamido}-3-{2'-methoxy-[1,1'-biphenyl]-4-yl}propanoic acid
Other name (1):
  • N-[3-(Phenylsulfonyl)piperidine-3-ylcarbonyl]-4-(2-methoxyphenyl)-L-phenylalanine
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