![2-[N,O-BIS-[(BENZOYLOXY)-CARBONYL]-L-TRIOSYLGLYCYLGLYCYL-L-PHENYLALANYL-L-LEUCYLAMINO]-2-DEOXY-ALPHA-D-GLUCOPYRANOSE](/api/spectrum/KKunhgkkxH7/structure.png?h=300&w=458 "2-[N,O-BIS-[(BENZOYLOXY)-CARBONYL]-L-TRIOSYLGLYCYLGLYCYL-L-PHENYLALANYL-L-LEUCYLAMINO]-2-DEOXY-ALPHA-D-GLUCOPYRANOSE")
| SpectraBase Compound ID | KPt5rJWc5O3 |
|---|---|
| InChI | InChI=1S/C50H60N6O15/c1-30(2)22-36(47(64)56-42-44(61)43(60)39(27-57)71-48(42)65)54-46(63)38(23-31-12-6-3-7-13-31)53-41(59)26-51-40(58)25-52-45(62)37(55-49(66)68-28-33-14-8-4-9-15-33)24-32-18-20-35(21-19-32)70-50(67)69-29-34-16-10-5-11-17-34/h3-21,30,36-39,42-44,48,57,60-61,65H,22-29H2,1-2H3,(H,51,58)(H,52,62)(H,53,59)(H,54,63)(H,55,66)(H,56,64)/t36-,37-,38-,39-,42-,43-,44-,48+/m0/s1 |
| InChIKey | NQSRFENIDCYQJM-XFEOCNCFSA-N |
| Mol Weight | 985.1 g/mol |
| Molecular Formula | C50H60N6O15 |
| Exact Mass | 984.411665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KKunhgkkxH7 |
|---|---|
| Name | 2-[N,O-BIS-[(BENZOYLOXY)-CARBONYL]-L-TRIOSYLGLYCYLGLYCYL-L-PHENYLALANYL-L-LEUCYLAMINO]-2-DEOXY-ALPHA-D-GLUCOPYRANOSE |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H60N6O15 |
| InChI | InChI=1S/C50H60N6O15/c1-30(2)22-36(47(64)56-42-44(61)43(60)39(27-57)71-48(42)65)54-46(63)38(23-31-12-6-3-7-13-31)53-41(59)26-51-40(58)25-52-45(62)37(55-49(66)68-28-33-14-8-4-9-15-33)24-32-18-20-35(21-19-32)70-50(67)69-29-34-16-10-5-11-17-34/h3-21,30,36-39,42-44,48,57,60-61,65H,22-29H2,1-2H3,(H,51,58)(H,52,62)(H,53,59)(H,54,63)(H,55,66)(H,56,64)/t36-,37-,38-,39-,42-,43-,44-,48+/m0/s1 |
| InChIKey | NQSRFENIDCYQJM-XFEOCNCFSA-N |
| Literature Reference Author | S.HORVAT,L.VARGA,J.HORVAT,A.PFUETZNER,H.SUHARTONO,H.RUEBSAME N-WAIGMANN |
| Literature Reference Citation | HELV.CHIM.ACTA,74,951(1991) |
| Literature Reference DOI | 10.1002/hlca.19910740505 |
| Molecular Weight | 985.058 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVP5974 |