![#12A;(Z)-D-SERINE-[(Z)-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-HYDROXYL](/api/spectrum/GYu4sSaEmHv/structure.png?h=300&w=458 "#12A;(Z)-D-SERINE-[(Z)-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-HYDROXYL")
| SpectraBase Compound ID | D058FXc2qiJ |
|---|---|
| InChI | InChI=1S/C55H80N10O19S2/c1-30(2)42(64-48(72)41(27-86-29-57-35(8)67)61-45(69)33(6)59-54(79)84-55(9,10)11)50(75)80-24-38(62-52(77)82-22-36-18-14-12-15-19-36)46(70)58-32(5)44(68)60-40(26-85-28-56-34(7)66)47(71)65-43(31(3)4)51(76)81-25-39(49(73)74)63-53(78)83-23-37-20-16-13-17-21-37/h12-21,30-33,38-43H,22-29H2,1-11H3,(H,56,66)(H,57,67)(H,58,70)(H,59,79)(H,60,68)(H,61,69)(H,62,77)(H,63,78)(H,64,72)(H,65,71)(H,73,74)/t32-,33+,38+,39+,40-,41+,42+,43-/m0/s1 |
| InChIKey | TXIIBVPZBQTLIP-GMGNKKTLSA-N |
| Mol Weight | 1249.4 g/mol |
| Molecular Formula | C55H80N10O19S2 |
| Exact Mass | 1248.504263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GYu4sSaEmHv |
|---|---|
| Name | #12A;(Z)-D-SERINE-[(Z)-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-HYDROXYL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H80N10O19S2 |
| InChI | InChI=1S/C55H80N10O19S2/c1-30(2)42(64-48(72)41(27-86-29-57-35(8)67)61-45(69)33(6)59-54(79)84-55(9,10)11)50(75)80-24-38(62-52(77)82-22-36-18-14-12-15-19-36)46(70)58-32(5)44(68)60-40(26-85-28-56-34(7)66)47(71)65-43(31(3)4)51(76)81-25-39(49(73)74)63-53(78)83-23-37-20-16-13-17-21-37/h12-21,30-33,38-43H,22-29H2,1-11H3,(H,56,66)(H,57,67)(H,58,70)(H,59,79)(H,60,68)(H,61,69)(H,62,77)(H,63,78)(H,64,72)(H,65,71)(H,73,74)/t32-,33+,38+,39+,40-,41+,42+,43-/m0/s1 |
| InChIKey | TXIIBVPZBQTLIP-GMGNKKTLSA-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 | 1249.416 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN21416 |