![ETHYL-N-TERT.-BUTOXYCARBONYL-0-{4'-[4''-(1''-BIS-(2'''-CHLOROETHYL)-AMINO)-PHENYL]-BUTANOYL}-L-SERYL-S-BENZYL-L-CYSTEINE](/api/spectrum/But3R8UJ1g8/structure.png?h=300&w=458 "ETHYL-N-TERT.-BUTOXYCARBONYL-0-{4'-[4''-(1''-BIS-(2'''-CHLOROETHYL)-AMINO)-PHENYL]-BUTANOYL}-L-SERYL-S-BENZYL-L-CYSTEINE")
| SpectraBase Compound ID | FCjvsW3FfkU |
|---|---|
| InChI | InChI=1S/C34H47Cl2N3O7S/c1-5-44-32(42)29(24-47-23-26-10-7-6-8-11-26)37-31(41)28(38-33(43)46-34(2,3)4)22-45-30(40)13-9-12-25-14-16-27(17-15-25)39(20-18-35)21-19-36/h6-8,10-11,14-17,28-29H,5,9,12-13,18-24H2,1-4H3,(H,37,41)(H,38,43)/t28-,29+/m0/s1 |
| InChIKey | FCYWGBVHIFIELL-URLMMPGGSA-N |
| Mol Weight | 712.7 g/mol |
| Molecular Formula | C34H47Cl2N3O7S |
| Exact Mass | 711.251177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | But3R8UJ1g8 |
|---|---|
| Name | ETHYL-N-TERT.-BUTOXYCARBONYL-0-{4'-[4''-(1''-BIS-(2'''-CHLOROETHYL)-AMINO)-PHENYL]-BUTANOYL}-L-SERYL-S-BENZYL-L-CYSTEINE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H47Cl2N3O7S |
| InChI | InChI=1S/C34H47Cl2N3O7S/c1-5-44-32(42)29(24-47-23-26-10-7-6-8-11-26)37-31(41)28(38-33(43)46-34(2,3)4)22-45-30(40)13-9-12-25-14-16-27(17-15-25)39(20-18-35)21-19-36/h6-8,10-11,14-17,28-29H,5,9,12-13,18-24H2,1-4H3,(H,37,41)(H,38,43)/t28-,29+/m0/s1 |
| InChIKey | FCYWGBVHIFIELL-URLMMPGGSA-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 | 712.729 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMZ321 |