Chem
J-GLOBAL ID:200907000843831710   Nikkaji number:J527.997F

(3S,4S)-4-[(N-Boc-3-Cyclohexyl-L-Ala-L-Ile-)amino]-3-hydroxy-6-methylheptanoic acid ethyl ester

(3S,4S)-4-[(N-Boc-3-シクロヘキシル-L-Ala-L-Ile-)アミノ]-3-ヒドロキシ-6-メチルヘプタン酸エチル
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: C30H55N3O7
Molecular formula furigana: C30-H55-N3-O7
Molecular weight: 569.784
InChI: InChI=1S/C30H55N3O7/c1-9-20(5)26(28(37)31-22(16-19(3)4)24(34)18-25(35)39-10-2)33-27(36)23(17-21-14-12-11-13-15-21)32-29(38)40-30(6,7)8/h19-24,26,34H,9-18H2,1-8H3,(H,31,37)(H,32,38)(H,33,36)/t20-,22-,23-,24-,26-/m0/s1
InChI key: FTHJSTXANKAZRW-IKXLULBCSA-N
SMILES: CCOC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@@H](C)CC
Systematic name  (3):
  • (3S,4S)-4-[(N-Boc-3-シクロヘキシル-L-Ala-L-Ile-)アミノ]-3-ヒドロキシ-6-メチルヘプタン酸エチル
  • エチル (3S,4S)-4-[(2S,3S)-2-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-シクロヘキシルプロパンアミド]-3-メチルペンタンアミド]-3-ヒドロキシ-6-メチルヘプタノアート
  • ethyl (3S,4S)-4-[(2S,3S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-cyclohexylpropanamido]-3-methylpentanamido]-3-hydroxy-6-methylheptanoate
Other name (1):
  • (3S,4S)-4-[(N-Boc-3-Cyclohexyl-L-Ala-L-Ile-)amino]-3-hydroxy-6-methylheptanoic acid ethyl ester
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