| SpectraBase Spectrum ID |
9Z6PzjOGRE2 |
| Name |
1,1'-(4,4'-(1,3-phenylenebis(oxy))bis(4,1-phenylene))-N',N''-di-Bocguanidine |
| Alternate Name(s) |
(NE)-N-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[4-[3-[4-[[(E)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]amino]phenoxy]phenoxy]anilino]methylidene]carbamic acid tert-butyl ester
tert-butyl (NE)-N-[[4-[3-[4-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]phenoxy]phenoxy]anilino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
tert-butyl (NE)-N-[[4-[3-[4-[[(E)-N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]amino]phenoxy]phenoxy]anilino]-(tert-butoxycarbonylamino)methylene]carbamate
tert-butyl (NE)-N-[[[4-[3-[4-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]phenoxy]phenoxy]phenyl]amino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H52N6O10 |
| InChI |
InChI=1S/C40H52N6O10/c1-37(2,3)53-33(47)43-31(44-34(48)54-38(4,5)6)41-25-16-20-27(21-17-25)51-29-14-13-15-30(24-29)52-28-22-18-26(19-23-28)42-32(45-35(49)55-39(7,8)9)46-36(50)56-40(10,11)12/h13-24H,1-12H3,(H2,41,43,44,47,48)(H2,42,45,46,49,50) |
| InChIKey |
ZHUJOYYEWXUREK-UHFFFAOYSA-N |
| Molecular Weight |
776.888 g/mol |
| SMILES |
N(\C(=N/C(OC(C)(C)C)=O)Nc1ccc(Oc2cc(Oc3ccc(N\C(=N/C(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)cc3)ccc2)cc1)C(OC(C)(C)C)=O |
| SPLASH |
splash10-004i-0090000800-4311d4aecf9fef66caa3 |
| Source of Spectrum |
F2-46-5857-2a |
| Wiley ID |
1689885 |
