| SpectraBase Compound ID | 4rZgpXVUUcs |
|---|---|
| InChI | InChI=1S/2C31H40N6O9/c2*1-19(33-30(43)46-31(2,3)4)26(39)32-18-25(38)29(42)36-16-8-11-24(36)28(41)35-23(17-20-9-6-5-7-10-20)27(40)34-21-12-14-22(15-13-21)37(44)45/h2*5-7,9-10,12-15,19,23-25,38H,8,11,16-18H2,1-4H3,(H,32,39)(H,33,43)(H,34,40)(H,35,41)/t2*19-,23-,24-,25?/m00/s1 |
| InChIKey | NCTMLEXYTCYROF-XNFKPOQASA-N |
| Mol Weight | 1281.4 g/mol |
| Molecular Formula | C62H80N12O18 |
| Exact Mass | 1280.571354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D9aE17Z3f1a |
|---|---|
| Name | BOC-ALA-ISER-PRO-PHE-PNA |
| Compound Number | 15A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H80N12O18 |
| InChI | InChI=1S/2C31H40N6O9/c2*1-19(33-30(43)46-31(2,3)4)26(39)32-18-25(38)29(42)36-16-8-11-24(36)28(41)35-23(17-20-9-6-5-7-10-20)27(40)34-21-12-14-22(15-13-21)37(44)45/h2*5-7,9-10,12-15,19,23-25,38H,8,11,16-18H2,1-4H3,(H,32,39)(H,33,43)(H,34,40)(H,35,41)/t2*19-,23-,24-,25?/m00/s1 |
| InChIKey | NCTMLEXYTCYROF-XNFKPOQASA-N |
| Literature Reference Author | L.DEMANGE,M.MOUTIEZ,C.DUGAVE |
| Literature Reference Citation | J.MED.CHEM.,45,3928(2002) |
| Literature Reference DOI | 10.1021/jm020865i |
| Molecular Weight | 1281.387 g/mol |
| Sample ID | 64820 |
| Solvent | CDCl3 |