![(Z)-D-SERINE-[9-FLUORENYL-METHYLOXYCARBONYL-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-L-VALINE]-L-ALANINE-L-CYSTEINE-L-VALINE]-OH-DISULFIDE](/api/spectrum/8md2IUrF6NB/structure.png?h=300&w=458 "(Z)-D-SERINE-[9-FLUORENYL-METHYLOXYCARBONYL-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-L-VALINE]-L-ALANINE-L-CYSTEINE-L-VALINE]-OH-DISULFIDE")
| SpectraBase Compound ID | 5uRJXfOj8ON |
|---|---|
| InChI | InChI=1S/C56H72N8O17S2/c1-29(2)43-51(72)77-25-39(61-53(74)80-24-38-36-21-15-13-19-34(36)35-20-14-16-22-37(35)38)47(67)57-31(5)45(65)59-41(27-82-83-28-42(49(69)63-43)60-46(66)32(6)58-55(76)81-56(7,8)9)48(68)64-44(30(3)4)52(73)78-26-40(50(70)71)62-54(75)79-23-33-17-11-10-12-18-33/h10-22,29-32,38-44H,23-28H2,1-9H3,(H,57,67)(H,58,76)(H,59,65)(H,60,66)(H,61,74)(H,62,75)(H,63,69)(H,64,68)(H,70,71)/t31-,32-,39+,40+,41-,42-,43-,44-/m0/s1 |
| InChIKey | AUDSVFWDYFQLKT-SCKJFQINSA-N |
| Mol Weight | 1193.4 g/mol |
| Molecular Formula | C56H72N8O17S2 |
| Exact Mass | 1192.445685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8md2IUrF6NB |
|---|---|
| Name | (Z)-D-SERINE-[9-FLUORENYL-METHYLOXYCARBONYL-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-L-VALINE]-L-ALANINE-L-CYSTEINE-L-VALINE]-OH-DISULFIDE |
| Compound Number | 13B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H72N8O17S2 |
| InChI | InChI=1S/C56H72N8O17S2/c1-29(2)43-51(72)77-25-39(61-53(74)80-24-38-36-21-15-13-19-34(36)35-20-14-16-22-37(35)38)47(67)57-31(5)45(65)59-41(27-82-83-28-42(49(69)63-43)60-46(66)32(6)58-55(76)81-56(7,8)9)48(68)64-44(30(3)4)52(73)78-26-40(50(70)71)62-54(75)79-23-33-17-11-10-12-18-33/h10-22,29-32,38-44H,23-28H2,1-9H3,(H,57,67)(H,58,76)(H,59,65)(H,60,66)(H,61,74)(H,62,75)(H,63,69)(H,64,68)(H,70,71)/t31-,32-,39+,40+,41-,42-,43-,44-/m0/s1 |
| InChIKey | AUDSVFWDYFQLKT-SCKJFQINSA-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 | 1193.351 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN21428 |