| SpectraBase Spectrum ID |
CIwZegbpNRi |
| Name |
1H,14H-13,10:20,17-Dinitrilo-21H-pyrrolo[2,1-l][1,17,4,7,10,13,20]dithiapentaazacyclotricosine-9-propanamide, 2,3,4,5,6,7,8,9,15,16,23,24,25,25a-tetradecahydro-6-(1-methylethyl)-3-(2-methylpropyl)-1,4,7,14,21-pentaoxo-, [3S-(3R*,6R*,9S*,25aR*)]- |
| CAS Registry Number |
92691-34-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H40N8O6S2 |
| InChI |
InChI=1S/C29H40N8O6S2/c1-14(2)10-17-25(40)36-23(15(3)4)27(42)33-16(7-8-21(30)38)28-35-18(12-45-28)24(39)31-11-22-32-19(13-44-22)29(43)37-9-5-6-20(37)26(41)34-17/h12-17,20,23H,5-11H2,1-4H3,(H2,30,38)(H,31,39)(H,33,42)(H,34,41)(H,36,40)/t16?,17-,20-,23+/m1/s1 |
| InChIKey |
XEUXVSVRYSKWPZ-SNZHDBJPSA-N |
| Molecular Weight |
660.809 g/mol |
| SMILES |
N1[C@@](C(N[C@](C(=O)NC(CCC(=O)N)c2nc(C(NCc3nc(C(N4[C@@](C1=O)(CCC4)[H])=O)cs3)=O)cs2)(C(C)C)[H])=O)(CC(C)C)[H] |
| SPLASH |
splash10-006t-0193302000-1049adc2e9ad2c032c3a |
| Source of Spectrum |
J-51-4585-0 |
| Synonyms |
3-[(13S)-10-isobutyl-13-isopropyl-2,8,11,14,21-pentaoxo-18,25-dithia-3,9,12,15,22,27,28-heptaazatetracyclo[22.2.1.1(17,20).0(3,7)]octacosa-1(26),17(28),19,24(27)-tetraen-16-yl]propanamide
Cyclo[l-pro-L-leu-L-val-(S)-(gln)-thz-(gly)thz] |
| Wiley ID |
1413554 |
![1H,14H-13,10:20,17-Dinitrilo-21H-pyrrolo[2,1-l][1,17,4,7,10,13,20]dithiapentaazacyclotricosine-9-propanamide, 2,3,4,5,6,7,8,9,15,16,23,24,25,25a-tetradecahydro-6-(1-methylethyl)-3-(2-methylpropyl)-1,4,7,14,21-pentaoxo-, [3S-(3R*,6R*,9S*,25aR*)]-](/api/spectrum/CIwZegbpNRi/structure.png?h=300&w=458 "1H,14H-13,10:20,17-Dinitrilo-21H-pyrrolo[2,1-l][1,17,4,7,10,13,20]dithiapentaazacyclotricosine-9-propanamide, 2,3,4,5,6,7,8,9,15,16,23,24,25,25a-tetradecahydro-6-(1-methylethyl)-3-(2-methylpropyl)-1,4,7,14,21-pentaoxo-, [3S-(3R*,6R*,9S*,25aR*)]-")
