| SpectraBase Spectrum ID |
60IWNQ3TZCF |
| Name |
11H-10,7:17,14-Dinitrilo-7H-pyrrolo[2,1-i][1,17,4,7,10,13,20]dithiapentaazacyclotricosine-6-propanamide, 1,2,3,4,5,6,12,13,18,19,20,21,23,24,25,25a-hexadecahydro-20-(1-methylethyl)-3-(2-methylpropyl)-1,4,11,18,21-pentaoxo-, [3S-(3R*,6R*,20R*,25aR*)]- |
| Alternate Name(s) |
3-[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[pro-len-val-(gln)thz-(gly)thz]
Dolastatin 3 |
| CAS Registry Number |
80387-90-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H40N8O6S2 |
| InChI |
InChI=1S/C29H40N8O6S2/c1-14(2)10-17-25(40)33-16(7-8-21(30)38)28-35-18(13-45-28)24(39)31-11-22-32-19(12-44-22)26(41)36-23(15(3)4)29(43)37-9-5-6-20(37)27(42)34-17/h12-17,20,23H,5-11H2,1-4H3,(H2,30,38)(H,31,39)(H,33,40)(H,34,42)(H,36,41)/t16-,17-,20-,23+/m0/s1 |
| InChIKey |
ATCVYMAKQRUVDS-DOAHWQAKSA-N |
| Molecular Weight |
660.809 g/mol |
| SMILES |
N1[C@](C(N[C@@](CCC(=O)N)(c2nc(C(NCc3nc(C(N[C@@](C(N4[C@](C1=O)(CCC4)[H])=O)(C(C)C)[H])=O)cs3)=O)cs2)[H])=O)(CC(C)C)[H] |
| SPLASH |
splash10-0hft-0940312000-c2b3a939020982816876 |
| Source of Spectrum |
J-50-2659-1 |
| Wiley ID |
1413553 |
![11H-10,7:17,14-Dinitrilo-7H-pyrrolo[2,1-i][1,17,4,7,10,13,20]dithiapentaazacyclotricosine-6-propanamide, 1,2,3,4,5,6,12,13,18,19,20,21,23,24,25,25a-hexadecahydro-20-(1-methylethyl)-3-(2-methylpropyl)-1,4,11,18,21-pentaoxo-, [3S-(3R*,6R*,20R*,25aR*)]-](/api/spectrum/60IWNQ3TZCF/structure.png?h=300&w=458 "11H-10,7:17,14-Dinitrilo-7H-pyrrolo[2,1-i][1,17,4,7,10,13,20]dithiapentaazacyclotricosine-6-propanamide, 1,2,3,4,5,6,12,13,18,19,20,21,23,24,25,25a-hexadecahydro-20-(1-methylethyl)-3-(2-methylpropyl)-1,4,11,18,21-pentaoxo-, [3S-(3R*,6R*,20R*,25aR*)]-")
