| SpectraBase Compound ID | C9EGdy08pCS |
|---|---|
| InChI | InChI=1S/C29H31Cl3IN3O7/c1-17(2)13-21(34-27(39)42-15-18-9-5-4-6-10-18)25(37)36-23-12-8-7-11-19(23)20(24(36)33)14-22(26(38)41-3)35-28(40)43-16-29(30,31)32/h4-12,17,21-22H,13-16H2,1-3H3,(H,34,39)(H,35,40)/t21-,22+/m0/s1 |
| InChIKey | ZOFFDNKXYBSWTF-FCHUYYIVSA-N |
| Mol Weight | 766.84 g/mol |
| Molecular Formula | C29H31Cl3IN3O7 |
| Exact Mass | 765.027228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C4qNstMUsIZ |
|---|---|
| Name | N-(IN)-L-BENZOXYCARBONYL-LEUCYL-2-N-(ALPHA)-2,2,2-TRICHLOROETHOXYCARBONYL-2-IODO-D-TRYPTOPHAN-METHYLESTER |
| Compound Number | 29B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H31Cl3IN3O7 |
| InChI | InChI=1S/C29H31Cl3IN3O7/c1-17(2)13-21(34-27(39)42-15-18-9-5-4-6-10-18)25(37)36-23-12-8-7-11-19(23)20(24(36)33)14-22(26(38)41-3)35-28(40)43-16-29(30,31)32/h4-12,17,21-22H,13-16H2,1-3H3,(H,34,39)(H,35,40)/t21-,22+/m0/s1 |
| InChIKey | ZOFFDNKXYBSWTF-FCHUYYIVSA-N |
| Literature Reference Author | B.B.SNIDER,H.ZENG |
| Literature Reference Citation | J.ORG.CHEM.,68,545(2003) |
| Literature Reference DOI | 10.1021/jo0264980 |
| Molecular Weight | 766.845 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25402 |