Chem
J-GLOBAL ID：201207083780157796   Nikkaji number：J3.066.912F

(1S)-2,2-Dimethyl-3α-[[(4S)-1-(tert-butoxycarbonyl)-4α-(benzyloxycarbonylamino)-L-prolyl]amino]cyclobutane-1α-carboxylic acid methyl ester

(1S)-2,2-ジメチル-3α-[[(4S)-1-(tert-ブトキシカルボニル)-4α-(ベンジルオキシカルボニルアミノ)-L-プロリル]アミノ]シクロブタン-1α-カルボン酸メチル
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： C26H37N3O7
Molecular formula furigana： C26-H37-N3-O7
Molecular weight： 503.596
InChI： InChI=1S/C26H37N3O7/c1-25(2,3)36-24(33)29-14-17(27-23(32)35-15-16-10-8-7-9-11-16)12-19(29)21(30)28-20-13-18(22(31)34-6)26(20,4)5/h7-11,17-20H,12-15H2,1-6H3,(H,27,32)(H,28,30)/t17-,18+,19-,20+/m0/s1
InChI key： DKHMGPNSRNOWPS-ZGXWSNOMSA-N
SMILES： COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)C1(C)C
Systematic name  (3)：
  • (1S)-2,2-ジメチル-3α-[[(4S)-1-(tert-ブトキシカルボニル)-4α-(ベンジルオキシカルボニルアミノ)-L-プロリル]アミノ]シクロブタン-1α-カルボン酸メチル
  • tert-ブチル (2S,4S)-4-{[(ベンジルオキシ)カルボニル]アミノ}-2-{[(1R,3S)-3-(メトキシカルボニル)-2,2-ジメチルシクロブチル]カルバモイル}ピロリジン-1-カルボキシラート
  • tert-butyl (2S,4S)-4-{[(benzyloxy)carbonyl]amino}-2-{[(1R,3S)-3-(methoxycarbonyl)-2,2-dimethylcyclobutyl]carbamoyl}pyrrolidine-1-carboxylate
Other name (1)：
  • (1S)-2,2-Dimethyl-3α-[[(4S)-1-(tert-butoxycarbonyl)-4α-(benzyloxycarbonylamino)-L-prolyl]amino]cyclobutane-1α-carboxylic acid methyl ester
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