![#11B;(Z)-D-SERINE-[9-FLUORENYL-METHYLOXYCARBONYL-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-L-ALANINE-L-CYSTEINE-(ACETAMIDOMET](/api/spectrum/8HNJLE2YrxV/structure.png?h=300&w=458 "#11B;(Z)-D-SERINE-[9-FLUORENYL-METHYLOXYCARBONYL-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-L-ALANINE-L-CYSTEINE-(ACETAMIDOMET")
| SpectraBase Compound ID | 4jPRJLElQ1z |
|---|---|
| InChI | InChI=1S/C64H85Cl3N10O19S2/c1-34(2)50(76-56(84)49(30-98-33-69-39(8)79)73-53(81)37(6)71-62(90)96-63(9,10)11)58(86)91-27-46(74-60(88)94-26-45-43-23-17-15-21-41(43)42-22-16-18-24-44(42)45)54(82)70-36(5)52(80)72-48(29-97-32-68-38(7)78)55(83)77-51(35(3)4)59(87)92-28-47(57(85)95-31-64(65,66)67)75-61(89)93-25-40-19-13-12-14-20-40/h12-24,34-37,45-51H,25-33H2,1-11H3,(H,68,78)(H,69,79)(H,70,82)(H,71,90)(H,72,80)(H,73,81)(H,74,88)(H,75,89)(H,76,84)(H,77,83)/t36-,37+,46+,47-,48-,49+,50+,51-/m1/s1 |
| InChIKey | XIRNNVLZDQXNED-XRPCZWRMSA-N |
| Mol Weight | 1468.9 g/mol |
| Molecular Formula | C64H85Cl3N10O19S2 |
| Exact Mass | 1466.449946 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 | 8HNJLE2YrxV |
|---|---|
| Name | #11B;(Z)-D-SERINE-[9-FLUORENYL-METHYLOXYCARBONYL-D-SERINE-[BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-L-ALANINE-L-CYSTEINE-(ACETAMIDOMET |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H85Cl3N10O19S2 |
| InChI | InChI=1S/C64H85Cl3N10O19S2/c1-34(2)50(76-56(84)49(30-98-33-69-39(8)79)73-53(81)37(6)71-62(90)96-63(9,10)11)58(86)91-27-46(74-60(88)94-26-45-43-23-17-15-21-41(43)42-22-16-18-24-44(42)45)54(82)70-36(5)52(80)72-48(29-97-32-68-38(7)78)55(83)77-51(35(3)4)59(87)92-28-47(57(85)95-31-64(65,66)67)75-61(89)93-25-40-19-13-12-14-20-40/h12-24,34-37,45-51H,25-33H2,1-11H3,(H,68,78)(H,69,79)(H,70,82)(H,71,90)(H,72,80)(H,73,81)(H,74,88)(H,75,89)(H,76,84)(H,77,83)/t36-,37+,46+,47-,48-,49+,50+,51-/m1/s1 |
| InChIKey | XIRNNVLZDQXNED-XRPCZWRMSA-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 | 1468.913 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN21426 |