| SpectraBase Compound ID | DeO3xSiO3qL |
|---|---|
| InChI | InChI=1S/C26H32N6O11/c27-26(28)29-11-3-7-16(30-22(38)14-5-1-9-18(34)20(14)36)23(39)31-17(24(40)41)8-4-12-32(13-33)43-25(42)15-6-2-10-19(35)21(15)37/h1-2,5-6,9-10,13,16-17,34-37H,3-4,7-8,11-12H2,(H,30,38)(H,31,39)(H,40,41)(H4,27,28,29)/t16-,17-/m1/s1 |
| InChIKey | JANBVBCLMZUUHR-IAGOWNOFSA-N |
| Mol Weight | 604.6 g/mol |
| Molecular Formula | C26H32N6O11 |
| Exact Mass | 604.212906 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JZ8kCW5UDdL |
|---|---|
| Name | Mirubactin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H32N6O11 |
| InChI | InChI=1S/C26H32N6O11/c27-26(28)29-11-3-7-16(30-22(38)14-5-1-9-18(34)20(14)36)23(39)31-17(24(40)41)8-4-12-32(13-33)43-25(42)15-6-2-10-19(35)21(15)37/h1-2,5-6,9-10,13,16-17,34-37H,3-4,7-8,11-12H2,(H,30,38)(H,31,39)(H,40,41)(H4,27,28,29)/t16-,17-/m1/s1 |
| InChIKey | JANBVBCLMZUUHR-IAGOWNOFSA-N |
| Instrument Name | LTQ-FT |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np300046k |
| Molecular Weight | 604.573 g/mol |
| Reported Formula | C26H33N6O11 |
| SMILES | Oc1c(cccc1C(N[C@](CCCNC(N)=N)(C(N[C@](CCCN(OC(c1cccc(c1O)O)=O)C=O)(C(O)=O)[H])=O)[H])=O)O |
| SPLASH | splash10-014i-0000900000-eb05dc7bfb5f6cfb3e0c |
| Source of Spectrum | G4-75-SM2-1 |
| Synonyms | (2R)-2-[[(2R)-2-[(2,3-dihydroxybenzoyl)amino]-5-guanidino-pentanoyl]amino]-5-[(2,3-dihydroxybenzoyl)oxy-formyl-amino]pentanoic acid |
| Wiley ID | 1854793 |