| SpectraBase Compound ID | 1kQ7iqlibP8 |
|---|---|
| InChI | InChI=1S/C48H62N8O6/c1-31(2)41(49)47(61)55-39(29-35-21-13-7-14-22-35)45(59)53-37(27-33-17-9-5-10-18-33)43(57)51-25-26-52-44(58)38(28-34-19-11-6-12-20-34)54-46(60)40(30-36-23-15-8-16-24-36)56-48(62)42(50)32(3)4/h5-24,31-32,37-42H,25-30,49-50H2,1-4H3,(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H,56,62)/t37-,38+,39-,40+,41+,42- |
| InChIKey | KGPFDMMNQLFJFI-UVROTBNGSA-N |
| Mol Weight | 847.1 g/mol |
| Molecular Formula | C48H62N8O6 |
| Exact Mass | 846.479232 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2aGI12iktAP |
|---|---|
| Name | 1,2-ETHANO-BIS-(L-PHE-L-PHE-L-VAL) |
| Compound Number | 16B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H62N8O6 |
| InChI | InChI=1S/C48H62N8O6/c1-31(2)41(49)47(61)55-39(29-35-21-13-7-14-22-35)45(59)53-37(27-33-17-9-5-10-18-33)43(57)51-25-26-52-44(58)38(28-34-19-11-6-12-20-34)54-46(60)40(30-36-23-15-8-16-24-36)56-48(62)42(50)32(3)4/h5-24,31-32,37-42H,25-30,49-50H2,1-4H3,(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H,56,62)/t37-,38+,39-,40+,41+,42- |
| InChIKey | KGPFDMMNQLFJFI-UVROTBNGSA-N |
| Literature Reference Author | S.KOBAYASHI,H.KOBAYASHI,T.YAMAGUCHI,M.NISHIDA,K.YAMAGUCHI,M. KURIHARA,N.MIYATA,A. |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,920(2000) |
| Literature Reference DOI | 10.1248/cpb.48.920 |
| Molecular Weight | 847.070 g/mol |
| Solvent | CDCl3:DMSO-D6 |
| Source File Reference | UWVN4315 |