| SpectraBase Spectrum ID |
8NB2NyjDtRo |
| Name |
Cyclo[Val-Ser(thiaz)-D-Phe-Ser(thiaz)-Phe-Pro-allo-Thr(oxaz)] |
| Alternate Name(s) |
(2S,8S,11R,15R,18R,25S,26R)-8,15-dibenzyl-22-isopropyl-26-methyl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptaazapentacyclo[23.2.1.1(11,14).1(18,21).0(2,6)]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C38H45N7O5S2 |
| InChI |
InChI=1S/C38H45N7O5S2/c1-21(2)30-37-42-28(20-52-37)32(46)39-25(17-23-11-6-4-7-12-23)36-41-27(19-51-36)33(47)40-26(18-24-13-8-5-9-14-24)38(49)45-16-10-15-29(45)35-44-31(22(3)50-35)34(48)43-30/h4-9,11-14,21-22,25-31H,10,15-20H2,1-3H3,(H,39,46)(H,40,47)(H,43,48)/t22-,25-,26+,27+,28+,29+,30?,31+/m1/s1 |
| InChIKey |
RBBBWKUBQVARPL-UTSFVVAJSA-N |
| Molecular Weight |
743.942 g/mol |
| SMILES |
N1C(C2=N[C@](C(N[C@](Cc3ccccc3)(C3=N[C@](C(N[C@](C(N4[C@](C5=N[C@](C1=O)([C@@](C)(O5)[H])[H])(CCC4)[H])=O)(Cc1ccccc1)[H])=O)(CS3)[H])[H])=O)(CS2)[H])C(C)C |
| SPLASH |
splash10-00dl-0008000900-74bb2c80806848bcdb61 |
| Source of Spectrum |
C-118-12367-24 |
| Wiley ID |
760160 |
![Cyclo[Val-Ser(thiaz)-D-Phe-Ser(thiaz)-Phe-Pro-allo-Thr(oxaz)]](/api/spectrum/8NB2NyjDtRo/structure.png?h=300&w=458 "Cyclo[Val-Ser(thiaz)-D-Phe-Ser(thiaz)-Phe-Pro-allo-Thr(oxaz)]")
