
CAS Number8068-37-9
Synonymspentasodium [[4-[[3-hydroxy-1-[[1-[[3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris[2-(sulfonatomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]-1-oxo-4-(sulfonatomethylamino)butan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(6-methyloctanoylamino)-4-oxobutyl]amino]methanesulfonate; pentasodium [[4-[[2-hydroxy-1-[[1-[[3-(1-hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris[2-(sulfonatomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]carbamoyl]-3-(sulfonatomethylamino)propyl]carbamoyl]propyl]amino]-3-(6-methyloctanoylamino)-4-oxo-butyl]amino]methanesulfonate; pentasodium [[4-[[2-hydroxy-1-[[[1-[[[3-(1-hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris[2-(sulfonatomethylamino)ethyl]-1,4,7,10,1
Molecular FormulaC58H105N16Na5O28S5
Molecular Weight1545.84
Purity96%
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 8068-37-9 |
| Catalog No. | 2A-9093513 |
| Chinese Name | 多粘菌素E甲磺酸钠 |
| Synonyms | pentasodium [[4-[[3-hydroxy-1-[[1-[[3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris[2-(sulfonatomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]-1-oxo-4-(sulfonatomethylamino)butan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(6-methyloctanoylamino)-4-oxobutyl]amino]methanesulfonate; pentasodium [[4-[[2-hydroxy-1-[[1-[[3-(1-hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris[2-(sulfonatomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]carbamoyl]-3-(sulfonatomethylamino)propyl]carbamoyl]propyl]amino]-3-(6-methyloctanoylamino)-4-oxo-butyl]amino]methanesulfonate; pentasodium [[4-[[2-hydroxy-1-[[[1-[[[3-(1-hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris[2-(sulfonatomethylamino)ethyl]-1,4,7,10,1 |
| Molecular Formula | C58H105N16Na5O28S5 |
| Molecular Weight | 1545.84 |
| Purity | 96 |
| PubChem ID | 17177955 |
| MDL Number | C57H108N16O25S4 |
| SMILES | [Na+].[Na+].[Na+].[Na+].[Na+].CCC(C)CCCCC(=O)NC(CCNC[S]([O-])(=O)=O)C(=O)NC(C(C)O)C(=O)NC(CCNC[S]([O-])(=O)=O)C(=O)NC1CCNC(=O)C(NC(=O)C(CCNC[S]([O-])(=O)=O)NC(=O)C(CCNC[S]([O-])(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNC[S]([O-])(=O)=O)NC1=O)C(C)O |
| InChI | InChI=1S/C58H110N16O28S5.5Na/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96;;;;;/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102);;;;;/q;5*+1/p-5 |
| InChI Key | InChIKey=IQWHCHZFYPIVRV-UHFFFAOYSA-I |
| MSDS | msds/93513_1_8068_37_9.pdf |
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