![ZELKOVAMYCIN;CYCLO-[GLYCYL-(2-AMINO-BUTANOYL)-(2-AMINO-2-BUTENOYL)-(N-METHYL-GLYCYL)-ALANAYL-1,3-THIAZOYL-7-METHOXY-TRYPTOPHANYL-(2-METHYL-DEHYDRO-THERONYL)]](/api/spectrum/1XF6yMNbdrn/structure.png?h=300&w=458 "ZELKOVAMYCIN;CYCLO-[GLYCYL-(2-AMINO-BUTANOYL)-(2-AMINO-2-BUTENOYL)-(N-METHYL-GLYCYL)-ALANAYL-1,3-THIAZOYL-7-METHOXY-TRYPTOPHANYL-(2-METHYL-DEHYDRO-THERONYL)]")
| SpectraBase Compound ID | G4sTCRhIEO3 |
|---|---|
| InChI | InChI=1S/C36H45N9O9S/c1-8-22-30(49)41-23(9-2)34(52)45(6)16-28(48)39-18(3)33-43-25(17-55-33)31(50)42-24(13-20-14-37-29-21(20)11-10-12-26(29)54-7)32(51)44-36(5,19(4)46)35(53)38-15-27(47)40-22/h9-12,14,17-18,22,24,37H,8,13,15-16H2,1-7H3,(H,38,53)(H,39,48)(H,40,47)(H,41,49)(H,42,50)(H,44,51)/b23-9- |
| InChIKey | VYMRECQGDKKGCJ-AQHIEDMUSA-N |
| Mol Weight | 779.9 g/mol |
| Molecular Formula | C36H45N9O9S |
| Exact Mass | 779.306095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XF6yMNbdrn |
|---|---|
| Name | ZELKOVAMYCIN;CYCLO-[GLYCYL-(2-AMINO-BUTANOYL)-(2-AMINO-2-BUTENOYL)-(N-METHYL-GLYCYL)-ALANAYL-1,3-THIAZOYL-7-METHOXY-TRYPTOPHANYL-(2-METHYL-DEHYDRO-THERONYL)] |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45N9O9S |
| InChI | InChI=1S/C36H45N9O9S/c1-8-22-30(49)41-23(9-2)34(52)45(6)16-28(48)39-18(3)33-43-25(17-55-33)31(50)42-24(13-20-14-37-29-21(20)11-10-12-26(29)54-7)32(51)44-36(5,19(4)46)35(53)38-15-27(47)40-22/h9-12,14,17-18,22,24,37H,8,13,15-16H2,1-7H3,(H,38,53)(H,39,48)(H,40,47)(H,41,49)(H,42,50)(H,44,51)/b23-9- |
| InChIKey | VYMRECQGDKKGCJ-AQHIEDMUSA-N |
| Literature Reference Author | N.TABATA,H.TOMODA,H.ZHANG,R.UCHIDA,S.OMURA |
| Literature Reference Citation | J.ANTIBIOTICS,52,34(1999) |
| Literature Reference DOI | 10.7164/antibiotics.52.34 |
| Molecular Weight | 779.868 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU975 |