![ETHYL-N-(2-TRIPHENYLMETHYLTHIO)-ETHANOYL-0-{4'-[4''-(1''-BIS-(2'''-CHLOROETHYL)-AMINO)-PHENYL]-BUTANOYL}-L-SERYL-S-BENZYL-L-CYSTEINE](/api/spectrum/JwLnzNtqInH/structure.png?h=300&w=458 "ETHYL-N-(2-TRIPHENYLMETHYLTHIO)-ETHANOYL-0-{4'-[4''-(1''-BIS-(2'''-CHLOROETHYL)-AMINO)-PHENYL]-BUTANOYL}-L-SERYL-S-BENZYL-L-CYSTEINE")
| SpectraBase Compound ID | 5LYwnvACB5c |
|---|---|
| InChI | InChI=1S/C50H55Cl2N3O6S2/c1-2-60-49(59)45(36-62-35-39-16-7-3-8-17-39)54-48(58)44(34-61-47(57)25-15-18-38-26-28-43(29-27-38)55(32-30-51)33-31-52)53-46(56)37-63-50(40-19-9-4-10-20-40,41-21-11-5-12-22-41)42-23-13-6-14-24-42/h3-14,16-17,19-24,26-29,44-45H,2,15,18,25,30-37H2,1H3,(H,53,56)(H,54,58)/t44-,45+/m1/s1 |
| InChIKey | LKFNYWVZDCWRGQ-UVTBUIGASA-N |
| Mol Weight | 929.0 g/mol |
| Molecular Formula | C50H55Cl2N3O6S2 |
| Exact Mass | 927.290934 g/mol |
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| SpectraBase Spectrum ID | JwLnzNtqInH |
|---|---|
| Name | ETHYL-N-(2-TRIPHENYLMETHYLTHIO)-ETHANOYL-0-{4'-[4''-(1''-BIS-(2'''-CHLOROETHYL)-AMINO)-PHENYL]-BUTANOYL}-L-SERYL-S-BENZYL-L-CYSTEINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H55Cl2N3O6S2 |
| InChI | InChI=1S/C50H55Cl2N3O6S2/c1-2-60-49(59)45(36-62-35-39-16-7-3-8-17-39)54-48(58)44(34-61-47(57)25-15-18-38-26-28-43(29-27-38)55(32-30-51)33-31-52)53-46(56)37-63-50(40-19-9-4-10-20-40,41-21-11-5-12-22-41)42-23-13-6-14-24-42/h3-14,16-17,19-24,26-29,44-45H,2,15,18,25,30-37H2,1H3,(H,53,56)(H,54,58)/t44-,45+/m1/s1 |
| InChIKey | LKFNYWVZDCWRGQ-UVTBUIGASA-N |
| Literature Reference Author | R.A.BELL,D.W.HUGHES,C.J.L.LOCK,J.F.VALLIANT |
| Literature Reference Citation | CAN.J.CHEM.,74,1503(1996) |
| Literature Reference DOI | 10.1139/v96-167 |
| Molecular Weight | 929.029 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMZ322 |