Chem
J-GLOBAL ID：201307079240912471   Nikkaji number：J3.165.216B

N-[(3S)-2-Hydroxy-3-[[L-Glu-L-Ile-2-(2-thienyl)-L-Ala-]amino]-5-methylhexyl]-L-Nva-OH

N-[(3S)-2-ヒドロキシ-3-[[L-Glu-L-Ile-2-(2-チエニル)-L-Ala-]アミノ]-5-メチルヘキシル]-L-Nva-OH
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： C30H51N5O8S
Molecular formula furigana： C30-H51-N5-O8-S
Molecular weight： 641.830
InChI： InChI=1S/C30H51N5O8S/c1-7-10-20(28(41)42)32-16-22(36)21(15-17(3)4)33-29(43)30(6,23-11-9-14-44-23)35-27(40)25(18(5)8-2)34-26(39)19(31)12-13-24(37)38/h9,11,14,17-22,25,32,36H,7-8,10,12-13,15-16,31H2,1-6H3,(H,33,43)(H,34,39)(H,35,40)(H,37,38)(H,41,42)/t18-,19-,20-,21-,22?,25-,30+/m0/s1
InChI key： BSLKCEAZAWLOII-PAVSUSPNSA-N
SMILES： CCC[C@H](NCC(O)[C@H](CC(C)C)NC(=O)[C@](C)(NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)c1cccs1)C(=O)O
Systematic name  (3)：
  • N-[(3S)-2-ヒドロキシ-3-[[L-Glu-L-Ile-2-(2-チエニル)-L-Ala-]アミノ]-5-メチルヘキシル]-L-Nva-OH
  • (4S)-4-アミノ-4-{[(1S,2S)-1-{[(1S)-1-{[(3S)-1-{[(1S)-1-カルボキシブチル]アミノ}-2-ヒドロキシ-5-メチルヘキサン-3-イル]カルバモイル}-1-(チオフェン-2-イル)エチル]カルバモイル}-2-メチルブチル]カルバモイル}ブタン酸
  • (4S)-4-amino-4-{[(1S,2S)-1-{[(1S)-1-{[(3S)-1-{[(1S)-1-carboxybutyl]amino}-2-hydroxy-5-methylhexan-3-yl]carbamoyl}-1-(thiophen-2-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid
Other name (1)：
  • N-[(3S)-2-Hydroxy-3-[[L-Glu-L-Ile-2-(2-thienyl)-L-Ala-]amino]-5-methylhexyl]-L-Nva-OH
Thsaurus map：
Thesaurus Map

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