| SpectraBase Spectrum ID |
12ZUWYsOU6r |
| Name |
methyl (2S)-2-[[(Z)-2-[[(2S)-2-benzamido-3-benzyloxy-propanoyl]amino]-4-(tert-butoxycarbonylamino)but-2-enoyl]amino]-4-methyl-pentanoate |
| Appearance |
Syrup |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
624.315914385 u |
| Formula |
C33H44N4O8 |
| InChI |
InChI=1S/C33H44N4O8/c1-22(2)19-26(31(41)43-6)36-29(39)25(17-18-34-32(42)45-33(3,4)5)35-30(40)27(21-44-20-23-13-9-7-10-14-23)37-28(38)24-15-11-8-12-16-24/h7-17,22,26-27H,18-21H2,1-6H3,(H,34,42)(H,35,40)(H,36,39)(H,37,38)/b25-17-/t26-,27-/m0/s1 |
| InChIKey |
CTZIJKMEYHLVAR-IDAUIJHJSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703758 |
| Molecular Weight |
624.735 g/mol |
| Optical Rotation |
[a]D = -7 (c = 0.45, CHCl3) |
| Quality |
35 |
| Reported Formula |
C33H44N4O8 |
| SMILES |
N(C\C=C/(C(=O)N[C@](C(=O)OC)(CC(C)C)[H])NC([C@](COCC1=CC=CC=C1)(NC(C1=CC=CC=C1)=O)[H])=O)C(=O)OC(C)(C)C |
| SPLASH |
splash10-0a4i-8900000000-1577c3ab38596537e2b9 |
| Sample Comments |
Z/E = 98:2 |
| Source of Spectrum |
QE-24-SM14-20d (DOI: 10.1002/chem.201703758) |
| Wiley ID |
1901497 |
![methyl (2S)-2-[[(Z)-2-[[(2S)-2-benzamido-3-benzyloxy-propanoyl]amino]-4-(tert-butoxycarbonylamino)but-2-enoyl]amino]-4-methyl-pentanoate](/api/spectrum/12ZUWYsOU6r/structure.png?h=300&w=458 "methyl (2S)-2-[[(Z)-2-[[(2S)-2-benzamido-3-benzyloxy-propanoyl]amino]-4-(tert-butoxycarbonylamino)but-2-enoyl]amino]-4-methyl-pentanoate")
