Chem
J-GLOBAL ID：201307033977380861   Nikkaji number：J3.165.215D

N-[(3S)-2-Hydroxy-3-[[L-Glu-L-Ile-2-(2-thienyl)-L-Ala-]amino]-5-methyl-1-oxohexyl]-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-1-オキソヘキシル]-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： C30H49N5O9S
Molecular formula furigana： C30-H49-N5-O9-S
Molecular weight： 655.810
InChI： InChI=1S/C30H49N5O9S/c1-7-10-19(28(42)43)32-27(41)24(38)20(15-16(3)4)33-29(44)30(6,21-11-9-14-45-21)35-26(40)23(17(5)8-2)34-25(39)18(31)12-13-22(36)37/h9,11,14,16-20,23-24,38H,7-8,10,12-13,15,31H2,1-6H3,(H,32,41)(H,33,44)(H,34,39)(H,35,40)(H,36,37)(H,42,43)/t17-,18-,19-,20-,23-,24?,30+/m0/s1
InChI key： WCVPLOCVMIGCSX-DQOMKMBYSA-N
SMILES： CCC[C@H](NC(=O)C(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-1-オキソヘキシル]-L-Nva-OH
  • (4S)-4-アミノ-4-{[(1S,2S)-1-{[(1S)-1-{[(2S)-1-{[(1S)-1-カルボキシブチル]カルバモイル}-1-ヒドロキシ-4-メチルペンタン-2-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-{[(2S)-1-{[(1S)-1-carboxybutyl]carbamoyl}-1-hydroxy-4-methylpentan-2-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-methyl-1-oxohexyl]-L-Nva-OH
Thsaurus map：
Thesaurus Map

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