| SpectraBase Spectrum ID |
3kewKOKGBs |
| Name |
(2S)-2-[[3-[2-[4-keto-2-(pivaloylamino)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-4,5,6,7-tetrahydroisobenzothiophene-1-carbonyl]amino]glutaric acid dimethyl ester |
| Alternate Name(s) |
(2S)-2-[[[3-[2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-4,5,6,7-tetrahydro-2-benzothiophen-1-yl]-oxomethyl]amino]pentanedioic acid dimethyl ester
Dimethyl (2S)-2-[[3-[2-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-4,5,6,7-tetrahydro-2-benzothiophen-1-yl]carbonylamino]pentanedioate
Dimethyl (2S)-2-[[3-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl]amino]pentanedioate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H41N5O7S |
| InChI |
InChI=1S/C30H41N5O7S/c1-30(2,3)28(40)35-29-33-24-19(25(37)34-29)14-16(15-31-24)10-12-21-17-8-6-7-9-18(17)23(43-21)26(38)32-20(27(39)42-5)11-13-22(36)41-4/h16,20H,6-15H2,1-5H3,(H,32,38)(H3,31,33,34,35,37,40)/t16?,20-/m0/s1 |
| InChIKey |
AYDCEKUTCAECQD-FZCLLLDFSA-N |
| Molecular Weight |
615.746 g/mol |
| SMILES |
N1CC(CC2=C1N=C(NC2=O)NC(C(C)(C)C)=O)CCc1sc(C(N[C@](C(=O)OC)(CCC(=O)OC)[H])=O)c2c1CCCC2 |
| SPLASH |
splash10-0gvk-0090502000-9e75e8d33b122b132ec3 |
| Source of Spectrum |
J-62-1602-11 |
| Wiley ID |
1411256 |
![(2S)-2-[[3-[2-[4-keto-2-(pivaloylamino)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-4,5,6,7-tetrahydroisobenzothiophene-1-carbonyl]amino]glutaric acid dimethyl ester](/api/spectrum/3kewKOKGBs/structure.png?h=300&w=458 "(2S)-2-[[3-[2-[4-keto-2-(pivaloylamino)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-4,5,6,7-tetrahydroisobenzothiophene-1-carbonyl]amino]glutaric acid dimethyl ester")
