| SpectraBase Compound ID | BdsDWf5f5Dw |
|---|---|
| InChI | InChI=1S/C35H41N5O6/c1-21(2)30-35(46)40(5)28(20-24-15-17-25(41)18-16-24)32(43)37-27-14-10-9-13-26(27)31(42)36-22(3)34(45)39(4)29(33(44)38-30)19-23-11-7-6-8-12-23/h6-18,21-22,28-30,41H,19-20H2,1-5H3,(H,36,42)(H,37,43)(H,38,44)/t22-,28-,29-,30-/m0/s1 |
| InChIKey | GXJXATAYZOLJHQ-BJPINVTDSA-N |
| Mol Weight | 627.7 g/mol |
| Molecular Formula | C35H41N5O6 |
| Exact Mass | 627.305684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IeW7zATR8Qq |
|---|---|
| Name | CYClOASPEPEPTIDE_D;CYClO-(L-ALANYL-L-N-METHYLPHENYLALANYL-L-VALYL-L-N-METHYLTYROSYL-O-AMINOBENZOYL) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H41N5O6 |
| InChI | InChI=1S/C35H41N5O6/c1-21(2)30-35(46)40(5)28(20-24-15-17-25(41)18-16-24)32(43)37-27-14-10-9-13-26(27)31(42)36-22(3)34(45)39(4)29(33(44)38-30)19-23-11-7-6-8-12-23/h6-18,21-22,28-30,41H,19-20H2,1-5H3,(H,36,42)(H,37,43)(H,38,44)/t22-,28-,29-,30-/m0/s1 |
| InChIKey | GXJXATAYZOLJHQ-BJPINVTDSA-N |
| Literature Reference Author | P.W.DALSGAARD,T.O.LARSEN,K.FRYDENVANG,C.CHRISTOPHERSEN |
| Literature Reference Citation | J.NAT.PROD.,67,878(2004) |
| Literature Reference DOI | 10.1021/np0303714 |
| Molecular Weight | 627.740 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ5605 |