Chem
J-GLOBAL ID:200907000577239274
Nikkaji number:J1.095.221B
BIO-1211
N-[4-[3-(2-メチルフェニル)ウレイド]フェニルアセチル]-L-Leu-L-Asp-Val-L-Pro-OH
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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:
C36 H48 N6 O9
Molecular formula furigana:
C36-H48-N6-O9
Molecular weight:
708.813
InChI:
InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1
InChI key:
NVVGCQABIHSJSQ-KFZSMJGVSA-N
SMILES:
CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)O
Systematic name (7):
N-[[4-[N′-(2-メチルフェニル)ウレイド]フェニル]アセチル]-L-Leu-L-Asp-L-Val-L-Pro-OH
N-[4-[3-(2-メチルフェニル)ウレイド]フェニルアセチル]-L-Leu-L-Asp-L-Val-L-Pro-OH
N-[4-[3-(2-メチルフェニル)ウレイド]フェニルアセチル]-L-Leu-L-Asp-Val-L-Pro-OH
N-[[4-[3-(2-メチルフェニル)ウレイド]フェニル]アセチル]-L-Leu-L-Asp-L-Val-L-Pro-OH
N-[[4-[[(2-メチルフェニル)アミノカルボニル]アミノ]フェニル]アセチル]-Leu-Asp-Val-Pro-OH
(2S)-1-[(2S)-2-[(2S)-3-カルボキシ-2-[(2S)-4-メチル-2-[2-(4-{[(2-メチルフェニル)カルバモイル]アミノ}フェニル)アセトアミド]ペンタンアミド]プロパンアミド]-3-メチルブタノイル]ピロリジン-2-カルボン酸
(2S)-1-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-4-methyl-2-[2-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetamido]pentanamido]propanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
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Other name (6):
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