Chem
J-GLOBAL ID：201507025623330338   Nikkaji number：J3.361.288E

N-(4-Carboxybutyryl)-Leu-3-(cyclopropyl)-Ala-[(3S,4S)-4-amino*-3-hydroxy-6-methylheptanoyl]-Val-(ethyl)NH2

N-(4-カルボキシブチリル)-Leu-3-(シクロプロピル)-Ala-[(3S,4S)-4-アミノ*-3-ヒドロキシ-6-メチルヘプタノイル]-Val-(エチル)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： C32H57N5O8
Molecular formula furigana： C32-H57-N5-O8
Molecular weight： 639.835
InChI： InChI=1S/C32H57N5O8/c1-8-33-32(45)29(20(6)7)37-27(40)17-25(38)22(14-18(2)3)35-31(44)24(16-21-12-13-21)36-30(43)23(15-19(4)5)34-26(39)10-9-11-28(41)42/h18-25,29,38H,8-17H2,1-7H3,(H,33,45)(H,34,39)(H,35,44)(H,36,43)(H,37,40)(H,41,42)/t22-,23-,24-,25-,29-/m0/s1
InChI key： VTSKDXVXLFCWHV-GLXJOHRYSA-N
SMILES： CCNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC1CC1)NC(=O)[C@H](CC(C)C)NC(=O)CCCC(=O)O)C(C)C
Systematic name  (3)：
  • N-(4-カルボキシブチリル)-Leu-3-(シクロプロピル)-Ala-[(3S,4S)-4-アミノ*-3-ヒドロキシ-6-メチルヘプタノイル]-Val-(エチル)NH2
  • 4-{[(1S)-1-{[(1S)-2-シクロプロピル-1-{[(2S,3S)-1-{[(1S)-1-(エチルカルバモイル)-2-メチルプロピル]カルバモイル}-2-ヒドロキシ-5-メチルヘキサン-3-イル]カルバモイル}エチル]カルバモイル}-3-メチルブチル]カルバモイル}ブタン酸
  • 4-{[(1S)-1-{[(1S)-2-cyclopropyl-1-{[(2S,3S)-1-{[(1S)-1-(ethylcarbamoyl)-2-methylpropyl]carbamoyl}-2-hydroxy-5-methylhexan-3-yl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
Other name (1)：
  • N-(4-Carboxybutyryl)-Leu-3-(cyclopropyl)-Ala-[(3S,4S)-4-amino*-3-hydroxy-6-methylheptanoyl]-Val-(ethyl)NH2
Thsaurus map：
Thesaurus Map

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