![#14B;[(Z)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE-9-FLUORENYL-METHYLOXYCARBONYL-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-(SERINE-HYDROXYL)-DILACTONE-DISULFIDE](/api/spectrum/HZMF3qWKw6h/structure.png?h=300&w=458 "#14B;[(Z)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE-9-FLUORENYL-METHYLOXYCARBONYL-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-(SERINE-HYDROXYL)-DILACTONE-DISULFIDE")
| SpectraBase Compound ID | E8e5H0V8Qcq |
|---|---|
| InChI | InChI=1S/C51H62N8O14S2/c1-26(2)40-48(66)70-22-36(56-50(68)72-20-30-14-8-7-9-15-30)44(62)52-28(5)42(60)54-38-24-74-75-25-39(46(64)58-40)55-43(61)29(6)53-45(63)37(23-71-49(67)41(27(3)4)59-47(38)65)57-51(69)73-21-35-33-18-12-10-16-31(33)32-17-11-13-19-34(32)35/h7-19,26-29,35-41H,20-25H2,1-6H3,(H,52,62)(H,53,63)(H,54,60)(H,55,61)(H,56,68)(H,57,69)(H,58,64)(H,59,65)/t28-,29-,36+,37+,38-,39-,40-,41-/m0/s1 |
| InChIKey | XMWIFLOIMGOEMA-DUMQRPFXSA-N |
| Mol Weight | 1075.2 g/mol |
| Molecular Formula | C51H62N8O14S2 |
| Exact Mass | 1074.382691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZMF3qWKw6h |
|---|---|
| Name | #14B;[(Z)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE-9-FLUORENYL-METHYLOXYCARBONYL-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-(SERINE-HYDROXYL)-DILACTONE-DISULFIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H62N8O14S2 |
| InChI | InChI=1S/C51H62N8O14S2/c1-26(2)40-48(66)70-22-36(56-50(68)72-20-30-14-8-7-9-15-30)44(62)52-28(5)42(60)54-38-24-74-75-25-39(46(64)58-40)55-43(61)29(6)53-45(63)37(23-71-49(67)41(27(3)4)59-47(38)65)57-51(69)73-21-35-33-18-12-10-16-31(33)32-17-11-13-19-34(32)35/h7-19,26-29,35-41H,20-25H2,1-6H3,(H,52,62)(H,53,63)(H,54,60)(H,55,61)(H,56,68)(H,57,69)(H,58,64)(H,59,65)/t28-,29-,36+,37+,38-,39-,40-,41-/m0/s1 |
| InChIKey | XMWIFLOIMGOEMA-DUMQRPFXSA-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 | 1075.218 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN21429 |