![N-{(2-RS)-1,4-DIOXO-2-MERCAPTO-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL}-PHENYLALANINE_AMIDE](/api/spectrum/J6JH4HcF4RB/structure.png?h=300&w=458 "N-{(2-RS)-1,4-DIOXO-2-MERCAPTO-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL}-PHENYLALANINE_AMIDE")
| SpectraBase Compound ID | 3d0VaC9QoHu |
|---|---|
| InChI | InChI=1S/2C27H35N3O12S/c2*1-13(31)38-12-19-22(39-14(2)32)23(40-15(3)33)24(41-16(4)34)27(42-19)30-21(35)11-20(43)26(37)29-18(25(28)36)10-17-8-6-5-7-9-17/h2*5-9,18-20,22-24,27,43H,10-12H2,1-4H3,(H2,28,36)(H,29,37)(H,30,35)/t18-,19-,20+,22-,23+,24-,27-;18-,19-,20-,22-,23+,24-,27-/m11/s1 |
| InChIKey | NHQXCYWVHRKWDW-DRLRIMPHSA-N |
| Mol Weight | 1251.3 g/mol |
| Molecular Formula | C54H70N6O24S2 |
| Exact Mass | 1250.388289 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6JH4HcF4RB |
|---|---|
| Name | N-{(2-RS)-1,4-DIOXO-2-MERCAPTO-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL}-PHENYLALANINE_AMIDE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H70N6O24S2 |
| InChI | InChI=1S/2C27H35N3O12S/c2*1-13(31)38-12-19-22(39-14(2)32)23(40-15(3)33)24(41-16(4)34)27(42-19)30-21(35)11-20(43)26(37)29-18(25(28)36)10-17-8-6-5-7-9-17/h2*5-9,18-20,22-24,27,43H,10-12H2,1-4H3,(H2,28,36)(H,29,37)(H,30,35)/t18-,19-,20+,22-,23+,24-,27-;18-,19-,20-,22-,23+,24-,27-/m11/s1 |
| InChIKey | NHQXCYWVHRKWDW-DRLRIMPHSA-N |
| Literature Reference Author | C.BOETTCHER,J.SPENGLER,K.BURGER |
| Literature Reference Citation | MH.CHEM.,135,1225(2004) |
| Literature Reference DOI | 10.1007/s00706-004-0187-5 |
| Molecular Weight | 1251.296 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ11942 |