| SpectraBase Spectrum ID |
B2TTuNCAcca |
| Name |
L-Alanine, N-[N-[N-[[4-(dimethylamino)-1-naphthalenyl]methylene]-L-valyl]-L-isoleucyl]-, ethyl ester |
| CAS Registry Number |
57237-94-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H42N4O4 |
| InChI |
InChI=1S/C29H42N4O4/c1-9-19(5)26(28(35)31-20(6)29(36)37-10-2)32-27(34)25(18(3)4)30-17-21-15-16-24(33(7)8)23-14-12-11-13-22(21)23/h11-20,25-26H,9-10H2,1-8H3,(H,31,35)(H,32,34)/b30-17+/t19-,20-,25-,26-/m0/s1 |
| InChIKey |
JOTABXRKNLRKNK-JPNZEIMVSA-N |
| Molecular Weight |
510.679 g/mol |
| SMILES |
N(C([C@@](\N=C\c1c2c(cccc2)c(cc1)N(C)C)(C(C)C)[H])=O)[C@](C(N[C@](C(=O)OCC)(C)[H])=O)([C@](CC)(C)[H])[H] |
| SPLASH |
splash10-0gvk-0390070000-ca370294a434173d5541 |
| Source of Spectrum |
O7-0-817-0 |
| Synonyms |
4-Dimethylamino-1-naphthylidene valylisoleucylalanine ethyl ester
Ethyl (2S)-2-[((2S,3S)-2-{[(2S)-2-({(E)-[4-(dimethylamino)-1-naphthyl]methylidene}amino)-3-methylbutanoyl]amino}-3-methylpentanoyl)amino]propanoate |
| Wiley ID |
1400524 |
![L-Alanine, N-[N-[N-[[4-(dimethylamino)-1-naphthalenyl]methylene]-L-valyl]-L-isoleucyl]-, ethyl ester](/api/spectrum/B2TTuNCAcca/structure.png?h=300&w=458 "L-Alanine, N-[N-[N-[[4-(dimethylamino)-1-naphthalenyl]methylene]-L-valyl]-L-isoleucyl]-, ethyl ester")
