| SpectraBase Spectrum ID |
3n4hHMpvUa0 |
| Name |
(S)-2-[4-(6,7-Dimethoxy-4-trifluoromethyl-quinolin-2-ylamino)-benzoylamino]-3-phenyl-propionic acid |
| Alternate Name(s) |
2-[(4-{[6,7-dimethoxy-4-(trifluoromethyl)quinolin-2-yl]amino}phenyl)formamido]-3-phenylpropanoic acid
N-(4-{[6,7-Dimethoxy-4-(trifluoromethyl)quinolin-2-yl]amino}benzoyl)phenylalanine
N-(4-{[6,7-Dimethoxy-4-(trifluoromethyl)quinolin-2-yl]amino}benzoyl)-L-phenylalanine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H24F3N3O5 |
| InChI |
InChI=1S/C28H24F3N3O5/c1-38-23-13-19-20(28(29,30)31)14-25(33-21(19)15-24(23)39-2)32-18-10-8-17(9-11-18)26(35)34-22(27(36)37)12-16-6-4-3-5-7-16/h3-11,13-15,22H,12H2,1-2H3,(H,32,33)(H,34,35)(H,36,37)/t22-/m0/s1 |
| InChIKey |
KPJCHFRYCWXXHA-QFIPXVFZSA-N |
| Molecular Weight |
539.511 g/mol |
| SMILES |
N(c1nc2c(c(C(F)(F)F)c1)cc(c(OC)c2)OC)c1ccc(C(N[C@](C(=O)O)(Cc2ccccc2)[H])=O)cc1 |
| SPLASH |
splash10-000l-0000090000-109b07789507b4bc4929 |
| Source of Spectrum |
Y-46-419-11 |
| Wiley ID |
1666737 |
![(S)-2-[4-(6,7-Dimethoxy-4-trifluoromethyl-quinolin-2-ylamino)-benzoylamino]-3-phenyl-propionic acid](/api/spectrum/3n4hHMpvUa0/structure.png?h=300&w=458 "(S)-2-[4-(6,7-Dimethoxy-4-trifluoromethyl-quinolin-2-ylamino)-benzoylamino]-3-phenyl-propionic acid")
