Chem
J-GLOBAL ID:200907066205341642   Nikkaji number:J1.027.318H

(S)-2-[[(2S,3R)-2-(tert-Butoxycarbonylamino)-3-methylpentanoyl]amino]-3-(1H-indole-3-yl)propanal

(S)-2-[[(2S,3R)-2-(tert-ブトキシカルボニルアミノ)-3-メチルペンタノイル]アミノ]-3-(1H-インドール-3-イル)プロパナール
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: C22H31N3O4
Molecular formula furigana: C22-H31-N3-O4
Molecular weight: 401.507
InChI: InChI=1S/C22H31N3O4/c1-6-14(2)19(25-21(28)29-22(3,4)5)20(27)24-16(13-26)11-15-12-23-18-10-8-7-9-17(15)18/h7-10,12-14,16,19,23H,6,11H2,1-5H3,(H,24,27)(H,25,28)/t14-,16+,19+/m1/s1
InChI key: YKYTUXGHFZQFLY-ALKREAHSSA-N
SMILES: CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O
Systematic name  (3):
  • (S)-2-[[(2S,3R)-2-(tert-ブトキシカルボニルアミノ)-3-メチルペンタノイル]アミノ]-3-(1H-インドール-3-イル)プロパナール
  • tert-ブチル N-[(1S,2R)-1-{[(2S)-1-(1H-インドール-3-イル)-3-オキソプロパン-2-イル]カルバモイル}-2-メチルブチル]カルバマート
  • tert-butyl N-[(1S,2R)-1-{[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamate
Other name (1):
  • (S)-2-[[(2S,3R)-2-(tert-Butoxycarbonylamino)-3-methylpentanoyl]amino]-3-(1H-indole-3-yl)propanal
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