Chem
J-GLOBAL ID：200907016337216785   Nikkaji number：J449.555A

N-(4-Aminopiperidinocarbonyl)-L-Phe-βAla-[(3S,4S)-4-(cyclohexylmethyl)-3-hydroxy-γAbu-]-L-Ile-(4-amino-2-methyl-5-pyrimidinylmethyl)NH2

N-(4-アミノピペリジノカルボニル)-L-Phe-βAla-[(3S,4S)-4-(シクロヘキシルメチル)-3-ヒドロキシ-γAbu-]-L-Ile-(4-アミノ-2-メチル-5-ピリミジニルメチル)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： C41H64N10O6
Molecular formula furigana： C41-H64-N10-O6
Molecular weight： 793.027
InChI： InChI=1S/C41H64N10O6/c1-4-26(2)37(40(56)46-25-30-24-45-27(3)47-38(30)43)50-36(54)23-34(52)32(21-28-11-7-5-8-12-28)48-35(53)15-18-44-39(55)33(22-29-13-9-6-10-14-29)49-41(57)51-19-16-31(42)17-20-51/h6,9-10,13-14,24,26,28,31-34,37,52H,4-5,7-8,11-12,15-23,25,42H2,1-3H3,(H,44,55)(H,46,56)(H,48,53)(H,49,57)(H,50,54)(H2,43,45,47)/t26-,32-,33-,34-,37-/m0/s1
InChI key： HZSPXNCSLJOMIF-NQKKVWJDSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(N)CC1)C(=O)NCc1cnc(C)nc1N
Systematic name  (3)：
  • N-(4-アミノピペリジノカルボニル)-L-Phe-βAla-[(3S,4S)-4-(シクロヘキシルメチル)-3-ヒドロキシ-γAbu-]-L-Ile-(4-アミノ-2-メチル-5-ピリミジニルメチル)NH2
  • (3S,4S)-N-[(1S,2S)-1-{[(4-アミノ-2-メチルピリミジン-5-イル)メチル]カルバモイル}-2-メチルブチル]-4-{3-[(2S)-2-[(4-アミノピペリジン-1-カルボニル)アミノ]-3-フェニルプロパンアミド]プロパンアミド}-5-シクロヘキシル-3-ヒドロキシペンタンアミド
  • (3S,4S)-N-[(1S,2S)-1-{[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamoyl}-2-methylbutyl]-4-{3-[(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]-3-phenylpropanamido]propanamido}-5-cyclohexyl-3-hydroxypentanamide
Other name (1)：
  • N-(4-Aminopiperidinocarbonyl)-L-Phe-βAla-[(3S,4S)-4-(cyclohexylmethyl)-3-hydroxy-γAbu-]-L-Ile-(4-amino-2-methyl-5-pyrimidinylmethyl)NH2
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM