| SpectraBase Compound ID | FYhuavGQFVj |
|---|---|
| InChI | InChI=1S/C27H33N7O10/c28-27(33-24(41)15-6-2-10-19(36)22(15)39)29-11-3-7-16(32-23(40)14-5-1-9-18(35)21(14)38)25(42)30-13-20(37)31-17-8-4-12-34(44)26(17)43/h1-2,5-6,9-10,16-17,35-36,38-39,44H,3-4,7-8,11-13H2,(H,30,42)(H,31,37)(H,32,40)(H3,28,29,33,41)/t16-,17+/m1/s1 |
| InChIKey | SDUJQEWEVFATFH-SJORKVTESA-N |
| Mol Weight | 615.6 g/mol |
| Molecular Formula | C27H33N7O10 |
| Exact Mass | 615.22889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DM4OcrG77cX |
|---|---|
| Name | N-[(1R)-4-[[(E)-N'-(2,3-dihydroxybenzoyl)carbamimidoyl]amino]-1-[[2-[[(3S)-1-hydroxy-2-oxo-3-piperidyl]amino]-2-oxo-ethyl]carbamoyl]butyl]-2,3-dihydroxy-benzamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H33N7O10 |
| InChI | InChI=1S/C27H33N7O10/c28-27(33-24(41)15-6-2-10-19(36)22(15)39)29-11-3-7-16(32-23(40)14-5-1-9-18(35)21(14)38)25(42)30-13-20(37)31-17-8-4-12-34(44)26(17)43/h1-2,5-6,9-10,16-17,35-36,38-39,44H,3-4,7-8,11-13H2,(H,30,42)(H,31,37)(H,32,40)(H3,28,29,33,41)/t16-,17+/m1/s1 |
| InChIKey | SDUJQEWEVFATFH-SJORKVTESA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np4006579 |
| Molecular Weight | 615.600 g/mol |
| SMILES | N(C(c1c(c(ccc1)O)O)=O)[C@](CCCN\C(=N\C(c1cccc(c1O)O)=O)N)(C(NCC(N[C@]1(CCCN(C1=O)O)[H])=O)=O)[H] |
| SPLASH | splash10-00kb-0900000000-5dc86e4465eeaf2d60cc |
| Source of Spectrum | G4-76-SM2-Heterobactin A |
| Wiley ID | 1865663 |