![PYLORICIDIN-A;3-[5-(VALYL-VALYL-LEUCYL)-AMINO-2,3,4,6-TETRAHYDROXYHEXANOYL]-AMINO-3-PHENYLPROPIONIC-ACID](/api/spectrum/5ltw7J85LdO/structure.png?h=300&w=458 "PYLORICIDIN-A;3-[5-(VALYL-VALYL-LEUCYL)-AMINO-2,3,4,6-TETRAHYDROXYHEXANOYL]-AMINO-3-PHENYLPROPIONIC-ACID")
| SpectraBase Compound ID | 2jHAyUleNnM |
|---|---|
| InChI | InChI=1S/C31H51N5O10/c1-15(2)12-20(34-30(45)24(17(5)6)36-29(44)23(32)16(3)4)28(43)35-21(14-37)25(40)26(41)27(42)31(46)33-19(13-22(38)39)18-10-8-7-9-11-18/h7-11,15-17,19-21,23-27,37,40-42H,12-14,32H2,1-6H3,(H,33,46)(H,34,45)(H,35,43)(H,36,44)(H,38,39)/t19-,20?,21+,23?,24?,25-,26-,27+/m0/s1 |
| InChIKey | WDNOOPOWGWWJRB-WBRPIIOCSA-N |
| Mol Weight | 653.8 g/mol |
| Molecular Formula | C31H51N5O10 |
| Exact Mass | 653.363593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ltw7J85LdO |
|---|---|
| Name | PYLORICIDIN-A;3-[5-(VALYL-VALYL-LEUCYL)-AMINO-2,3,4,6-TETRAHYDROXYHEXANOYL]-AMINO-3-PHENYLPROPIONIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H51N5O10 |
| InChI | InChI=1S/C31H51N5O10/c1-15(2)12-20(34-30(45)24(17(5)6)36-29(44)23(32)16(3)4)28(43)35-21(14-37)25(40)26(41)27(42)31(46)33-19(13-22(38)39)18-10-8-7-9-11-18/h7-11,15-17,19-21,23-27,37,40-42H,12-14,32H2,1-6H3,(H,33,46)(H,34,45)(H,35,43)(H,36,44)(H,38,39)/t19-,20?,21+,23?,24?,25-,26-,27+/m0/s1 |
| InChIKey | WDNOOPOWGWWJRB-WBRPIIOCSA-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 | 653.773 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI2462 |