| SpectraBase Spectrum ID |
6e9ir8Kjb1k |
| Name |
N-acetyl-L-leucyl-.alpha.,.beta.-didehydro-3,5-dimethoxy-O-methyltyrosyl-6-bromo-L-tryptophanamide |
| Alternate Name(s) |
(2E)-2-{[2-(acetylamino)-4-methylpentanoyl]amino}-N-{2-amino-1-[(6-bromo-1H-indol-3-yl)methyl]-2-oxoethyl}-3-(3,4,5-trimethoxyphenyl)-2-propenamide |
| CAS Registry Number |
74144-20-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H38BrN5O7 |
| InChI |
InChI=1S/C31H38BrN5O7/c1-16(2)9-24(35-17(3)38)30(40)37-25(10-18-11-26(42-4)28(44-6)27(12-18)43-5)31(41)36-23(29(33)39)13-19-15-34-22-14-20(32)7-8-21(19)22/h7-8,10-12,14-16,23-24,34H,9,13H2,1-6H3,(H2,33,39)(H,35,38)(H,36,41)(H,37,40)/b25-10+ |
| InChIKey |
HKAYRRYUTILWBJ-KIBLKLHPSA-N |
| Molecular Weight |
672.577 g/mol |
| SMILES |
N(C(\C(NC(C(NC(=O)C)CC(C)C)=O)=C\c1cc(OC)c(c(c1)OC)OC)=O)C(Cc1c[nH]c2c1ccc(c2)Br)C(=O)N |
| SPLASH |
splash10-06ul-9760000000-b3d73d0ce4538bc6ac13 |
| Source of Spectrum |
J-45-3690-0 |
| Wiley ID |
1413943 |
