Chem
J-GLOBAL ID:200907070699752914
Nikkaji number:J1.704.752C
5-[(S)-2-[[(S)-2-(3-Carboxypropionylamino)-3-phenylpropionyl]amino]-2-(pentylcarbamoyl)ethyl]-2-(carboxymethoxy)benzoic acid
2-(カルボキシメトキシ)-5-[(2S)-2-[(2S)-2-(3-カルボキシプロパンアミド)-3-フェニルプロパンアミド]-2-(ペンチルカルバモイル)エチル]安息香酸
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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:
C30 H37 N3 O10
Molecular formula furigana:
C30-H37-N3-O10
Molecular weight:
599.637
InChI:
InChI=1S/C30H37N3O10/c1-2-3-7-14-31-28(39)22(17-20-10-11-24(43-18-27(37)38)21(15-20)30(41)42)33-29(40)23(16-19-8-5-4-6-9-19)32-25(34)12-13-26(35)36/h4-6,8-11,15,22-23H,2-3,7,12-14,16-18H2,1H3,(H,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)(H,41,42)/t22-,23-/m0/s1
InChI key:
PUAJYWYRZTYQKS-GOTSBHOMSA-N
SMILES:
CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(c1)C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)O
Systematic name (3):
5-[(S)-2-[[(S)-2-(3-カルボキシプロピオニルアミノ)-3-フェニルプロピオニル]アミノ]-2-(ペンチルカルバモイル)エチル]-2-(カルボキシメトキシ)安息香酸
2-(カルボキシメトキシ)-5-[(2S)-2-[(2S)-2-(3-カルボキシプロパンアミド)-3-フェニルプロパンアミド]-2-(ペンチルカルバモイル)エチル]安息香酸
2-(carboxymethoxy)-5-[(2S)-2-[(2S)-2-(3-carboxypropanamido)-3-phenylpropanamido]-2-(pentylcarbamoyl)ethyl]benzoic acid
Other name (1):
5-[(S)-2-[[(S)-2-(3-Carboxypropionylamino)-3-phenylpropionyl]amino]-2-(pentylcarbamoyl)ethyl]-2-(carboxymethoxy)benzoic acid
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