![(Z)-D-SERINE-[(Z)-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-L-VALINE]-L-ALANINE-L-CYSTEINE-L-VALINE]-OH-DISULFIDE](/api/spectrum/59TIxTx7tF2/structure.png?h=300&w=458 "(Z)-D-SERINE-[(Z)-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-L-VALINE]-L-ALANINE-L-CYSTEINE-L-VALINE]-OH-DISULFIDE")
| SpectraBase Compound ID | IFEilLXhsig |
|---|---|
| InChI | InChI=1S/C49H68N8O17S2/c1-26(2)36-44(65)70-22-32(54-46(67)72-20-30-16-12-10-13-17-30)40(60)50-28(5)38(58)52-34(24-75-76-25-35(42(62)56-36)53-39(59)29(6)51-48(69)74-49(7,8)9)41(61)57-37(27(3)4)45(66)71-23-33(43(63)64)55-47(68)73-21-31-18-14-11-15-19-31/h10-19,26-29,32-37H,20-25H2,1-9H3,(H,50,60)(H,51,69)(H,52,58)(H,53,59)(H,54,67)(H,55,68)(H,56,62)(H,57,61)(H,63,64)/t28-,29-,32+,33+,34-,35-,36-,37-/m0/s1 |
| InChIKey | CTIZXBJLUSWFSG-ODYOCADGSA-N |
| Mol Weight | 1105.2 g/mol |
| Molecular Formula | C49H68N8O17S2 |
| Exact Mass | 1104.414385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 59TIxTx7tF2 |
|---|---|
| Name | (Z)-D-SERINE-[(Z)-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-L-VALINE]-L-ALANINE-L-CYSTEINE-L-VALINE]-OH-DISULFIDE |
| Compound Number | 13A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H68N8O17S2 |
| InChI | InChI=1S/C49H68N8O17S2/c1-26(2)36-44(65)70-22-32(54-46(67)72-20-30-16-12-10-13-17-30)40(60)50-28(5)38(58)52-34(24-75-76-25-35(42(62)56-36)53-39(59)29(6)51-48(69)74-49(7,8)9)41(61)57-37(27(3)4)45(66)71-23-33(43(63)64)55-47(68)73-21-31-18-14-11-15-19-31/h10-19,26-29,32-37H,20-25H2,1-9H3,(H,50,60)(H,51,69)(H,52,58)(H,53,59)(H,54,67)(H,55,68)(H,56,62)(H,57,61)(H,63,64)/t28-,29-,32+,33+,34-,35-,36-,37-/m0/s1 |
| InChIKey | CTIZXBJLUSWFSG-ODYOCADGSA-N |
| Literature Reference Author | K.B.LORENZ,U.DIEDERICHSEN |
| Literature Reference Citation | J.ORG.CHEM.,69,3917(2004) |
| Literature Reference DOI | 10.1021/jo0496805 |
| Molecular Weight | 1105.242 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN21417 |