10409-85-5 (环[L-丙氨酰基-L-戊酰基-（3R）-3-羟基十二酰基甘氨酰基-L-戊酰基-D-亮氨酰基],Cyclo[L-alanyl-L-valyl-(3R)-3-hydroxydodecanoylglycyl-L-valyl-D-leucyl])

快速询单

结构式：

环[L-丙氨酰基-L-戊酰基-（3R）-3-羟基十二酰基甘氨酰基-L-戊酰基-D-亮氨酰基]MOL文件

CAS号：

10409-85-5

中文名称：

环[L-丙氨酰基-L-戊酰基-（3R）-3-羟基十二酰基甘氨酰基-L-戊酰基-D-亮氨酰基]

英文名称：

Cyclo[L-alanyl-L-valyl-(3R)-3-hydroxydodecanoylglycyl-L-valyl-D-leucyl]

分子式：

C₃₃H₅₉N₅O₇

分子量：

637.850869417191

环[L-丙氨酰基-L-戊酰基-（3R）-3-羟基十二酰基甘氨酰基-L-戊酰基-D-亮氨酰基](10409-85-5)名称与标识符

名称

英文别名：

Cyclo[L-alanyl-L-valyl-(3R)-3-hydroxydodecanoylglycyl-L-valyl-D-leucyl];ISARIIN;(R)-ISARIIN B;(R)-ISAROLIDE;Isariin A;N-((R)-3-hydroxy-dodecanoyl)-glycyl->L-valyl->D-leucyl->L-alanyl->L-valine lactone;N-[N-[(R)-3-Hydroxy-1-oxododecyl]-Gly-L-Val-D-Leu-L-Ala-]-L-valine lactone;

标识符

InChIKey：

KIJLRIARMCGDJZ-UHFFFAOYSA-N

Inchi：

1S/C33H59N5O7/c1-9-10-11-12-13-14-15-16-24-18-26(39)34-19-27(40)37-28(21(4)5)32(43)36-25(17-20(2)3)31(42)35-23(8)30(41)38-29(22(6)7)33(44)45-24/h20-25,28-29H,9-19H2,1-8H3,(H,34,39)(H,35,42)(H,36,43)(H,37,40)(H,38,41)

SMILES：

O1C(C(C(C)C)NC(C(C)NC(C(CC(C)C)NC(C(C(C)C)NC(CNC(CC1CCCCCCCCC)=O)=O)=O)=O)=O)=O

环[L-丙氨酰基-L-戊酰基-（3R）-3-羟基十二酰基甘氨酰基-L-戊酰基-D-亮氨酰基](10409-85-5)物化性质

实验特性

LogP : 4.52000
PSA : 171.80000

计算特性

精确分子量 : 637.44100

环[L-丙氨酰基-L-戊酰基-（3R）-3-羟基十二酰基甘氨酰基-L-戊酰基-D-亮氨酰基](10409-85-5)相关文献

1. Effect of ester chemical structure and peptide bond conformation in fragmentation pathways of differently metal cationized cyclodepsipeptides
Raja Banerjee,S. Sudarslal,R. S. Ranganayaki,S. Raghothama Org. Biomol. Chem. 2011 9 6234
2. Genomics-driven discovery of a new cyclodepsipeptide from the guanophilic fungus Amphichorda guana
Min Liang,Hai-Ning Lyu,Zi-Ying Ma,Er-Wei Li,Lei Cai,Wen-Bing Yin Org. Biomol. Chem. 2021 19 1960
3. Polypeptides. Part XXV. Synthesis of isariin
Paul M. Hardy,R. Aubrey Prout,H. N. Rydon J. Chem. Soc. Perkin Trans. 1 1974 802
4. Polypeptides. Part XXIV. Synthesis of isariic acid
Paul M. Hardy,R. Aubrey Prout,H. N. Rydon J. Chem. Soc. Perkin Trans. 1 1974 796
5. Secondary metabolites from hypocrealean entomopathogenic fungi: novel bioactive compounds
Liwen Zhang,Opemipo Esther Fasoyin,István Molnár,Yuquan Xu Nat. Prod. Rep. 2020 37 1181
6. Thinking big about small beings – the (yet) underdeveloped microbial natural products chemistry in Brazil
Laura P. Ióca,Pierre-Marie Allard,Roberto G. S. Berlinck Nat. Prod. Rep. 2014 31 646
7. Cyclodepsipeptides
D. W. Russell Q. Rev. Chem. Soc. 1966 20 559
8. Index of authors, 1974
J. Chem. Soc. Perkin Trans. 1 1974 2725
9. The mass spectra of amino-acid and peptide derivatives
J. H. Jones Q. Rev. Chem. Soc. 1968 22 302
10. Index of subjects, 1974
J. Chem. Soc. Perkin Trans. 1 1974 2751

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