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23152-29-6 分子结构
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N-[(3S,6S,12R,15S,16R,19S,22S)-3-benzyl-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide

ChemBase编号:154593
分子式:C43H49N7O10
平均质量:823.89006
单一同位素质量:823.3540908
SMILES和InChIs

SMILES:
CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@@H](C(=O)N2CCC(=O)C[C@H]2C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)c1c(cccn1)O)C)c1ccccc1)Cc1ccccc1)C
Canonical SMILES:
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](N(C(=O)[C@H]3N(C1=O)CCC3)C)Cc1ccccc1)CCC(=O)C2)c1ccccc1
InChI:
InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)/t25-,29-,30+,31+,32+,34+,35+/m1/s1
InChIKey:
FEPMHVLSLDOMQC-IYPFLVAKSA-N

引用这个纪录

CBID:154593 http://www.chembase.cn/molecule-154593.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
N-[(3S,6S,12R,15S,16R,19S,22S)-3-benzyl-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
IUPAC传统名
virginiamycin S1
别名
Antibiotic 899
Staphylomycin S
Virginiamycin S1
CAS号
23152-29-6
EC号
245-462-6
PubChem SID
162248731
PubChem CID
5388936

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格
Sigma Aldrich
V4140 external link 加入购物车 请登录
数据来源 数据ID
PubChem 5388936 external link

理论计算性质

理论计算性质

JChem
Acid pKa 7.529842  质子受体 10 
质子供体 LogD (pH = 5.5) 1.8491545 
LogD (pH = 7.4) 1.6192802  Log P 1.8531505 
摩尔折射率 213.2372 cm3 极化性 82.944954 Å3
极化表面积 224.72 Å2 可自由旋转的化学键
里宾斯基五规则 false 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
外观
white powder expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
保存温度
-20°C expand 查看数据来源
纯度
≥99% (HPLC) expand 查看数据来源
Empirical Formula (Hill Notation)
C43H49N7O10 expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  V4140 external link
Biochem/physiol Actions
Cyclic polypeptide antibiotic from Streptomyces sp. Acts as a synergist binding to the conformational change in the peptidyl transferase center fo the 50S ribosome.
Virginiamycin S inhibits bacterial protein synthesis at the level of aminoacyl-tRNA binding and peptide bond formation. It inactivates the 50S ribosome. VS is a cyclic hexadepsipeptide containing a nonproteinogenic amino acid, Lphenylglycine (L-pheGly), in its core structure. The visG gene is required for VS biosynthesis. Nonribosomal peptide synthetase (NRPS) may be involved in VS biosynthesis. Virginiamycin S is active against Gram-positive bacteria1.
Application
The antibiotic virginiamycin is produced by Streptomyces virginiae and is a member of the virginiamycin family. Each member is produced as a mixture of two structurally different compounds that exhibit synergistic antibacterial activity. There are two groups: virginiamycin M1 (VM1) and virginiamycin S (VS). VS is a cyclic hexadepsipeptide. VS and VM1 are both used to inhibit protein synthesis since they are bacteriostatic. When used in combination they are more effective. Virginiamycin is used as a performance promoter in animal husbandry. It is chemically modified to make therapeutic drugs such as quinupristin and dalfopristin1,2.

参考文献

参考文献

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专利

专利

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