SpectraBase Spectrum ID |
5OE53Hv4ETi |
Name |
(7R,8R)-7,8-(Butane-1,4-diyl)-N,N',N'",N""-tetrakis(p-toluenesulfonyl)-2,6,9,13-tetraaza[14]metacyclophane |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C48H58N4O8S4 |
InChI |
InChI=1S/C48H58N4O8S4/c1-37-11-23-43(24-12-37)61(53,54)49-31-7-33-51(63(57,58)45-27-15-39(3)16-28-45)47-9-5-6-10-48(47)52(64(59,60)46-29-17-40(4)18-30-46)34-8-32-50(36-42-21-19-41(35-49)20-22-42)62(55,56)44-25-13-38(2)14-26-44/h11-30,47-48H,5-10,31-36H2,1-4H3/t47-,48-/m1/s1 |
InChIKey |
MYUYMKLYXHMTFS-URZIEALYSA-N |
Molecular Weight |
947.252 g/mol |
SMILES |
[C@@]12(N(S(c3ccc(cc3)C)(=O)=O)CCCN(Cc3ccc(CN(CCCN([C@@]1(CCCC2)[H])S(c1ccc(cc1)C)(=O)=O)S(c1ccc(cc1)C)(=O)=O)cc3)S(c1ccc(cc1)C)(=O)=O)[H] |
SPLASH |
splash10-000i-0000009300-9f1d5c5825095c8f3d04 |
Source of Spectrum |
KD-16-1364-3 |
Wiley ID |
1637655 |