Chem
J-GLOBAL ID：200907061293763576   Nikkaji number：J2.043.428G

N-Boc-6,6,6-Trifluoro-L-Nle-L-Ala-[(2R,4S,5S)-2-methyl-4-hydroxy-5-amino*-6-phenylhexanoyl]-Val-(4-pyridinylmethyl)NH2

N-Boc-6,6,6-トリフルオロ-L-Nle-L-Ala-[(2R,4S,5S)-2-メチル-4-ヒドロキシ-5-アミノ*-6-フェニルヘキサノイル]-Val-(4-ピリジニルメチル)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： C38H55F3N6O7
Molecular formula furigana： C38-H55-F3-N6-O7
Molecular weight： 764.888
InChI： InChI=1S/C38H55F3N6O7/c1-23(2)31(35(52)43-22-27-15-18-42-19-16-27)47-32(49)24(3)20-30(48)29(21-26-12-9-8-10-13-26)45-33(50)25(4)44-34(51)28(14-11-17-38(39,40)41)46-36(53)54-37(5,6)7/h8-10,12-13,15-16,18-19,23-25,28-31,48H,11,14,17,20-22H2,1-7H3,(H,43,52)(H,44,51)(H,45,50)(H,46,53)(H,47,49)/t24-,25+,28+,29+,30+,31+/m1/s1
InChI key： CAQLXINYFRLRAG-CUTTXCQYSA-N
SMILES： CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(F)(F)F)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1
Systematic name  (3)：
  • N-Boc-6,6,6-トリフルオロ-L-Nle-L-Ala-[(2R,4S,5S)-2-メチル-4-ヒドロキシ-5-アミノ*-6-フェニルヘキサノイル]-Val-(4-ピリジニルメチル)NH2
  • tert-ブチル N-[(1S)-5,5,5-トリフルオロ-1-{[(1S)-1-{[(2S,3S,5R)-3-ヒドロキシ-5-メチル-5-{[(1S)-2-メチル-1-{[(ピリジン-4-イル)メチル]カルバモイル}プロピル]カルバモイル}-1-フェニルペンタン-2-イル]カルバモイル}エチル]カルバモイル}ペンチル]カルバマート
  • tert-butyl N-[(1S)-5,5,5-trifluoro-1-{[(1S)-1-{[(2S,3S,5R)-3-hydroxy-5-methyl-5-{[(1S)-2-methyl-1-{[(pyridin-4-yl)methyl]carbamoyl}propyl]carbamoyl}-1-phenylpentan-2-yl]carbamoyl}ethyl]carbamoyl}pentyl]carbamate
Other name (1)：
  • N-Boc-6,6,6-Trifluoro-L-Nle-L-Ala-[(2R,4S,5S)-2-methyl-4-hydroxy-5-amino*-6-phenylhexanoyl]-Val-(4-pyridinylmethyl)NH2
Thsaurus map：
Thesaurus Map

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