Chem
J-GLOBAL ID：200907004528279096   Nikkaji number：J453.975C

(2R,4S,5S)-N-Isobutyl-5-[[N-(L-phenylalanyl)-L-norleucyl]amino]-2-ethyl-4-hydroxy-6-cyclohexylhexanamide

(2R,4S,5S)-N-イソブチル-5-[[N-(L-フェニルアラニル)-L-ノルロイシル]アミノ]-2-エチル-4-ヒドロキシ-6-シクロヘキシルヘキサンアミド
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： C33H56N4O4
Molecular formula furigana： C33-H56-N4-O4
Molecular weight： 572.835
InChI： InChI=1S/C33H56N4O4/c1-5-7-18-28(36-32(40)27(34)19-24-14-10-8-11-15-24)33(41)37-29(20-25-16-12-9-13-17-25)30(38)21-26(6-2)31(39)35-22-23(3)4/h8,10-11,14-15,23,25-30,38H,5-7,9,12-13,16-22,34H2,1-4H3,(H,35,39)(H,36,40)(H,37,41)/t26-,27+,28+,29+,30+/m1/s1
InChI key： WKYZMRLSBZNJFI-MZBLVXSRSA-N
SMILES： CCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](CC)C(=O)NCC(C)C
Systematic name  (3)：
  • (2R,4S,5S)-N-イソブチル-5-[[N-(L-フェニルアラニル)-L-ノルロイシル]アミノ]-2-エチル-4-ヒドロキシ-6-シクロヘキシルヘキサンアミド
  • (2R,4S,5S)-5-[(2S)-2-[(2S)-2-アミノ-3-フェニルプロパンアミド]ヘキサンアミド]-6-シクロヘキシル-2-エチル-4-ヒドロキシ-N-(2-メチルプロピル)ヘキサンアミド
  • (2R,4S,5S)-5-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]hexanamido]-6-cyclohexyl-2-ethyl-4-hydroxy-N-(2-methylpropyl)hexanamide
Other name (1)：
  • (2R,4S,5S)-N-Isobutyl-5-[[N-(L-phenylalanyl)-L-norleucyl]amino]-2-ethyl-4-hydroxy-6-cyclohexylhexanamide
Thsaurus map：
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