| SpectraBase Compound ID | apyrVpnofL |
|---|---|
| InChI | InChI=1S/C29H49N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h17-21,23-24H,9-16H2,1-8H3,(H,30,36)(H,31,37) |
| InChIKey | BEPSNABVCPQTFP-UHFFFAOYSA-N |
| Mol Weight | 579.7 g/mol |
| Molecular Formula | C29H49N5O7 |
| Exact Mass | 579.363199 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3TtSKrDYdrI |
|---|---|
| Name | Cyclic(.beta.-alanyl-D-.alpha.-hydroxy-valeryl-L-prolyl-L-isoleucyl-N-methyl-L-valyl-N-methyl-L-alanyl) |
| CAS Registry Number | 30845-05-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H49N5O7 |
| InChI | InChI=1S/C29H49N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h17-21,23-24H,9-16H2,1-8H3,(H,30,36)(H,31,37) |
| InChIKey | BEPSNABVCPQTFP-UHFFFAOYSA-N |
| Molecular Weight | 579.739 g/mol |
| SMILES | N1C(C(N(C(C(N(C(C(NC(=O)C2N(C(=O)C(CCC)OC(=O)CC1)CCC2)C(CC)C)=O)C)C(C)C)=O)C)C)=O |
| SPLASH | splash10-00dr-0001960000-d452bc901ae8a02bf5b0 |
| Source of Spectrum | O-4-177-3 |
| Synonyms | 3-Sec-butyl-1-hydroxy-6-isopropyl-5,8,9-trimethyl-16-propyl-5,6,8,9,12,13,19,20,21,21a-decahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-4,7,10,14,17(3H,11H,16H)-pentone 13-isopropyl-10,11,14-trimethyl-3-propyl-16-sec-butyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone 13-isopropyl-10,11,14-trimethyl-3-propyl-16-sec-butyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-triquinone 16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-propyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone Destruxin A, 1-[1-(D-2-hydroxyvaleryl)-L-proline]- |
| Wiley ID | 1408423 |