![#11A;(Z)-D-SERINE-[(Z)-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-O-TRICHLORO](/api/spectrum/5K7wDepX06y/structure.png?h=300&w=458 "#11A;(Z)-D-SERINE-[(Z)-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-O-TRICHLORO")
| SpectraBase Compound ID | 4NEHl9KaoqB |
|---|---|
| InChI | InChI=1S/C57H81Cl3N10O19S2/c1-31(2)43(69-49(77)42(27-91-30-62-36(8)72)66-46(74)34(6)64-55(83)89-56(9,10)11)51(79)84-24-39(67-53(81)86-22-37-18-14-12-15-19-37)47(75)63-33(5)45(73)65-41(26-90-29-61-35(7)71)48(76)70-44(32(3)4)52(80)85-25-40(50(78)88-28-57(58,59)60)68-54(82)87-23-38-20-16-13-17-21-38/h12-21,31-34,39-44H,22-30H2,1-11H3,(H,61,71)(H,62,72)(H,63,75)(H,64,83)(H,65,73)(H,66,74)(H,67,81)(H,68,82)(H,69,77)(H,70,76)/t33-,34+,39+,40+,41-,42+,43+,44-/m0/s1 |
| InChIKey | LWOPEXMTSQFEEC-FYZZZALPSA-N |
| Mol Weight | 1380.8 g/mol |
| Molecular Formula | C57H81Cl3N10O19S2 |
| Exact Mass | 1378.418646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5K7wDepX06y |
|---|---|
| Name | #11A;(Z)-D-SERINE-[(Z)-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-O-TRICHLORO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H81Cl3N10O19S2 |
| InChI | InChI=1S/C57H81Cl3N10O19S2/c1-31(2)43(69-49(77)42(27-91-30-62-36(8)72)66-46(74)34(6)64-55(83)89-56(9,10)11)51(79)84-24-39(67-53(81)86-22-37-18-14-12-15-19-37)47(75)63-33(5)45(73)65-41(26-90-29-61-35(7)71)48(76)70-44(32(3)4)52(80)85-25-40(50(78)88-28-57(58,59)60)68-54(82)87-23-38-20-16-13-17-21-38/h12-21,31-34,39-44H,22-30H2,1-11H3,(H,61,71)(H,62,72)(H,63,75)(H,64,83)(H,65,73)(H,66,74)(H,67,81)(H,68,82)(H,69,77)(H,70,76)/t33-,34+,39+,40+,41-,42+,43+,44-/m0/s1 |
| InChIKey | LWOPEXMTSQFEEC-FYZZZALPSA-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 | 1380.805 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN21415 |