![PYLORICIDIN-B;3-[5-(VALYL-LEUCYL)-AMINO-2,3,4,6-TETRAHYDROXYHEXANOYL]-AMINO-3-PHENYLPROPIONIC-ACID](/api/spectrum/Din6jZtT9pu/structure.png?h=300&w=458 "PYLORICIDIN-B;3-[5-(VALYL-LEUCYL)-AMINO-2,3,4,6-TETRAHYDROXYHEXANOYL]-AMINO-3-PHENYLPROPIONIC-ACID")
| SpectraBase Compound ID | CqkrjzGmBoz |
|---|---|
| InChI | InChI=1S/C26H42N4O9/c1-13(2)10-17(29-25(38)20(27)14(3)4)24(37)30-18(12-31)21(34)22(35)23(36)26(39)28-16(11-19(32)33)15-8-6-5-7-9-15/h5-9,13-14,16-18,20-23,31,34-36H,10-12,27H2,1-4H3,(H,28,39)(H,29,38)(H,30,37)(H,32,33)/t16-,17?,18+,20?,21-,22-,23+/m0/s1 |
| InChIKey | RQPIUFLNFUDVAY-DWBHIYGRSA-N |
| Mol Weight | 554.6 g/mol |
| Molecular Formula | C26H42N4O9 |
| Exact Mass | 554.295179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Din6jZtT9pu |
|---|---|
| Name | PYLORICIDIN-B;3-[5-(VALYL-LEUCYL)-AMINO-2,3,4,6-TETRAHYDROXYHEXANOYL]-AMINO-3-PHENYLPROPIONIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H42N4O9 |
| InChI | InChI=1S/C26H42N4O9/c1-13(2)10-17(29-25(38)20(27)14(3)4)24(37)30-18(12-31)21(34)22(35)23(36)26(39)28-16(11-19(32)33)15-8-6-5-7-9-15/h5-9,13-14,16-18,20-23,31,34-36H,10-12,27H2,1-4H3,(H,28,39)(H,29,38)(H,30,37)(H,32,33)/t16-,17?,18+,20?,21-,22-,23+/m0/s1 |
| InChIKey | RQPIUFLNFUDVAY-DWBHIYGRSA-N |
| Literature Reference Author | Y.NAGANO,K.IKEDO,A.FUJISHIMA,M.IZAWA,S.TSUBOTANI,O.NISHIMURA ,M.FUJINO |
| Literature Reference Citation | J.ANTIBIOTICS,54,934(2001) |
| Literature Reference DOI | 10.7164/antibiotics.54.934 |
| Molecular Weight | 554.641 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI2463 |