Chem
J-GLOBAL ID:200907024232523936   Nikkaji number:J1.400.066F

Boc-Trp-3-(2-Naphthyl)-Ala-Asp-[(S)-α-(methylcarbamoyl)phenethyl]NH2

Boc-Trp-3-(2-ナフチル)-Ala-Asp-[(S)-α-(メチルカルバモイル)フェネチル]NH2
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: C43H48N6O8
Molecular formula furigana: C43-H48-N6-O8
Molecular weight: 776.891
InChI: InChI=1S/C43H48N6O8/c1-43(2,3)57-42(56)49-35(23-30-25-45-32-17-11-10-16-31(30)32)40(54)47-34(22-27-18-19-28-14-8-9-15-29(28)20-27)39(53)48-36(24-37(50)51)41(55)46-33(38(52)44-4)21-26-12-6-5-7-13-26/h5-20,25,33-36,45H,21-24H2,1-4H3,(H,44,52)(H,46,55)(H,47,54)(H,48,53)(H,49,56)(H,50,51)/t33-,34-,35-,36-/m0/s1
InChI key: WBGLSLZVUIEJCL-ZYADHFCISA-N
SMILES: CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Systematic name  (3):
  • Boc-Trp-3-(2-ナフチル)-Ala-Asp-[(S)-α-(メチルカルバモイル)フェネチル]NH2
  • (3S)-3-[(2S)-2-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-(1H-インドール-3-イル)プロパンアミド]-3-(ナフタレン-2-イル)プロパンアミド]-3-{[(1S)-1-(メチルカルバモイル)-2-フェニルエチル]カルバモイル}プロパン酸
  • (3S)-3-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido]-3-(naphthalen-2-yl)propanamido]-3-{[(1S)-1-(methylcarbamoyl)-2-phenylethyl]carbamoyl}propanoic acid
Other name (1):
  • Boc-Trp-3-(2-Naphthyl)-Ala-Asp-[(S)-α-(methylcarbamoyl)phenethyl]NH2
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