![BETA-BENZYL-(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPARTATE]-TRIESTER](/api/spectrum/A2a3VWM0TSo/structure.png?h=300&w=458 "BETA-BENZYL-(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPARTATE]-TRIESTER")
| SpectraBase Compound ID | Lfx6n9V1tlZ |
|---|---|
| InChI | InChI=1S/C38H51N5O12/c1-38(2,3)55-37(51)42-28(21-25-13-9-7-10-14-25)34(48)39-20-19-30(44)40-27(35(49)52-5)17-18-32(46)43(4)23-31(45)41-29(36(50)53-6)22-33(47)54-24-26-15-11-8-12-16-26/h7-16,27-29H,17-24H2,1-6H3,(H,39,48)(H,40,44)(H,41,45)(H,42,51)/t27-,28+,29+/m1/s1 |
| InChIKey | OCKKLHGKBHUUPN-ULNSLHSMSA-N |
| Mol Weight | 769.8 g/mol |
| Molecular Formula | C38H51N5O12 |
| Exact Mass | 769.353422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A2a3VWM0TSo |
|---|---|
| Name | BETA-BENZYL-(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPARTATE]-TRIESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H51N5O12 |
| InChI | InChI=1S/C38H51N5O12/c1-38(2,3)55-37(51)42-28(21-25-13-9-7-10-14-25)34(48)39-20-19-30(44)40-27(35(49)52-5)17-18-32(46)43(4)23-31(45)41-29(36(50)53-6)22-33(47)54-24-26-15-11-8-12-16-26/h7-16,27-29H,17-24H2,1-6H3,(H,39,48)(H,40,44)(H,41,45)(H,42,51)/t27-,28+,29+/m1/s1 |
| InChIKey | OCKKLHGKBHUUPN-ULNSLHSMSA-N |
| Literature Reference Author | A.P.MEHROTRA,K.L.WEBSTER,D.GANI |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2495(1997) |
| Literature Reference DOI | 10.1039/a702407j |
| Molecular Weight | 769.849 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP9234 |