Chem
J-GLOBAL ID:200907075060085579   Nikkaji number:J1.901.722B

2,3,5-Triphenyl-4-[4-[[(2S)-2,6-bis(benzyloxycarbonylamino)hexanoyl]amino]phenyl]-2,4-cyclopentadiene-1-one

2,3,5-トリフェニル-4-[4-[[(2S)-2,6-ビス(ベンジルオキシカルボニルアミノ)ヘキサノイル]アミノ]フェニル]-2,4-シクロペンタジエン-1-オン
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: C51H45N3O6
Molecular formula furigana: C51-H45-N3-O6
Molecular weight: 795.936
InChI: InChI=1S/C51H45N3O6/c55-48-46(39-24-12-4-13-25-39)44(38-22-10-3-11-23-38)45(47(48)40-26-14-5-15-27-40)41-29-31-42(32-30-41)53-49(56)43(54-51(58)60-35-37-20-8-2-9-21-37)28-16-17-33-52-50(57)59-34-36-18-6-1-7-19-36/h1-15,18-27,29-32,43H,16-17,28,33-35H2,(H,52,57)(H,53,56)(H,54,58)/t43-/m0/s1
InChI key: DHSAYSABBZDSPZ-QLKFWGTOSA-N
SMILES: O=C(NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(cc1)C1=C(C(=O)C(=C1c1ccccc1)c1ccccc1)c1ccccc1)OCc1ccccc1
Systematic name  (3):
  • 2,3,5-トリフェニル-4-[4-[[(2S)-2,6-ビス(ベンジルオキシカルボニルアミノ)ヘキサノイル]アミノ]フェニル]-2,4-シクロペンタジエン-1-オン
  • ベンジル N-[(5S)-5-{[(ベンジルオキシ)カルボニル]アミノ}-5-{[4-(3-オキソ-2,4,5-トリフェニルシクロペンタ-1,4-ジエン-1-イル)フェニル]カルバモイル}ペンチル]カルバマート
  • benzyl N-[(5S)-5-{[(benzyloxy)carbonyl]amino}-5-{[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenyl]carbamoyl}pentyl]carbamate
Other name (1):
  • 2,3,5-Triphenyl-4-[4-[[(2S)-2,6-bis(benzyloxycarbonylamino)hexanoyl]amino]phenyl]-2,4-cyclopentadiene-1-one
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