![(2S)-2-{2-[(3SR,4SR)-3-Acetamido-4-(3-indolyl)-2-oxo-1-piperidinyl]acetamido}-4-methylpentamide isomer](/api/spectrum/hAf2f5s8Nb/structure.png?h=300&w=458 "(2S)-2-{2-[(3SR,4SR)-3-Acetamido-4-(3-indolyl)-2-oxo-1-piperidinyl]acetamido}-4-methylpentamide isomer")
| SpectraBase Compound ID | 3NEGzncD8fd |
|---|---|
| InChI | InChI=1S/C23H31N5O4/c1-13(2)10-19(22(24)31)27-20(30)12-28-9-8-16(21(23(28)32)26-14(3)29)17-11-25-18-7-5-4-6-15(17)18/h4-7,11,13,16,19,21,25H,8-10,12H2,1-3H3,(H2,24,31)(H,26,29)(H,27,30)/t16?,19-,21?/m0/s1 |
| InChIKey | RPDIYMDHWMZFDG-BSLVTKGXSA-N |
| Mol Weight | 441.53 g/mol |
| Molecular Formula | C23H31N5O4 |
| Exact Mass | 441.237604 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | hAf2f5s8Nb |
|---|---|
| Name | (2S)-2-{2-[(3SR,4SR)-3-Acetamido-4-(3-indolyl)-2-oxo-1-piperidinyl]acetamido}-4-methylpentamide isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H31N5O4 |
| InChI | InChI=1S/C23H31N5O4/c1-13(2)10-19(22(24)31)27-20(30)12-28-9-8-16(21(23(28)32)26-14(3)29)17-11-25-18-7-5-4-6-15(17)18/h4-7,11,13,16,19,21,25H,8-10,12H2,1-3H3,(H2,24,31)(H,26,29)(H,27,30)/t16?,19-,21?/m0/s1 |
| InChIKey | RPDIYMDHWMZFDG-BSLVTKGXSA-N |
| Molecular Weight | 441.532 g/mol |
| SMILES | N(C(CN1C(C(C(c2c[nH]c3c2cccc3)CC1)NC(=O)C)=O)=O)[C@](C(=O)N)(CC(C)C)[H] |
| SPLASH | splash10-0a4i-7931000000-f2310ea2fbdb4183dbb0 |
| Source of Spectrum | F-68-9553-17 |
| Synonyms | (2S)-2-{2-[(3SR,4SR)-3-Acetamido-4-(3-indolyl)-2-oxo-1-piperidinyl]acetamido}-4-methylpentamide (2S)-2-({[3-(acetylamino)-4-(1H-indol-3-yl)-2-oxo-1-piperidinyl]acetyl}amino)-4-methylpentanamide |
| Wiley ID | 1573863 |