| SpectraBase Spectrum ID |
4akzc8pI9Y |
| Name |
Alanine, N-[N-[N-[1-(4-bromobenzoyl)-L-prolyl]-L-valyl]-2-methylalanyl]-2-methyl-, methyl ester |
| CAS Registry Number |
102674-55-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H37BrN4O6 |
| InChI |
InChI=1S/C26H37BrN4O6/c1-15(2)19(21(33)29-25(3,4)23(35)30-26(5,6)24(36)37-7)28-20(32)18-9-8-14-31(18)22(34)16-10-12-17(27)13-11-16/h10-13,15,18-19H,8-9,14H2,1-7H3,(H,28,32)(H,29,33)(H,30,35)/t18-,19-/m0/s1 |
| InChIKey |
PTTBAAHYGALHOT-OALUTQOASA-N |
| Molecular Weight |
581.508 g/mol |
| SMILES |
N(C([C@]1(N(C(c2ccc(cc2)Br)=O)CCC1)[H])=O)[C@](C(NC(C(NC(C(=O)OC)(C)C)=O)(C)C)=O)(C(C)C)[H] |
| SPLASH |
splash10-0f89-0394210000-97fe46d3686ca6aa5853 |
| Source of Spectrum |
I-64-278-0 |
| Synonyms |
Methyl 2-[(2-{[(2S)-2-({[(2S)-1-(4-bromobenzoyl)pyrrolidinyl]carbonyl}amino)-3-methylbutanoyl]amino}-2-methylpropanoyl)amino]-2-methylpropanoate
Methyl N-4-bromobenzoyl-L-valyl-2-methylalanyl-2-methylalaninate |
| Wiley ID |
1408472 |
![Alanine, N-[N-[N-[1-(4-bromobenzoyl)-L-prolyl]-L-valyl]-2-methylalanyl]-2-methyl-, methyl ester](/api/spectrum/4akzc8pI9Y/structure.png?h=300&w=458 "Alanine, N-[N-[N-[1-(4-bromobenzoyl)-L-prolyl]-L-valyl]-2-methylalanyl]-2-methyl-, methyl ester")
