| SpectraBase Compound ID | 2fUWkDJqKbz |
|---|---|
| InChI | InChI=1S/C72H118N18O19/c1-35(2)29-43(33-91)80-58(100)47(26-28-52(74)95)83-65(107)70(15,16)87-60(102)48(30-36(3)4)82-55(97)39(8)77-63(105)68(11,12)88-61(103)50(34-92)84-66(108)69(13,14)86-56(98)40(9)76-57(99)46(25-27-51(73)94)81-54(96)38(7)78-64(106)71(17,18)90-67(109)72(19,20)89-62(104)53(37(5)6)85-59(101)49(79-41(10)93)31-42-32-75-45-24-22-21-23-44(42)45/h21-24,32,35-40,43,46-50,53,75,91-92H,25-31,33-34H2,1-20H3,(H2,73,94)(H2,74,95)(H,76,99)(H,77,105)(H,78,106)(H,79,93)(H,80,100)(H,81,96)(H,82,97)(H,83,107)(H,84,108)(H,85,101)(H,86,98)(H,87,102)(H,88,103)(H,89,104)(H,90,109) |
| InChIKey | KAKBBMJKOKAIHQ-UHFFFAOYSA-N |
| Mol Weight | 1539.8 g/mol |
| Molecular Formula | C72H118N18O19 |
| Exact Mass | 1538.882064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AcDLEbyI8l0 |
|---|---|
| Name | TYLOPEPTIN-B;AC-L-TRP-L-VAL-L-AIB-L-AIB-L-ALA-L-GLU-L-ALA-L-AIB-L-SER-L-AIB-L-ALA-L-LEU-L-AIB-L-GLN-L-LEUNOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H118N18O19 |
| InChI | InChI=1S/C72H118N18O19/c1-35(2)29-43(33-91)80-58(100)47(26-28-52(74)95)83-65(107)70(15,16)87-60(102)48(30-36(3)4)82-55(97)39(8)77-63(105)68(11,12)88-61(103)50(34-92)84-66(108)69(13,14)86-56(98)40(9)76-57(99)46(25-27-51(73)94)81-54(96)38(7)78-64(106)71(17,18)90-67(109)72(19,20)89-62(104)53(37(5)6)85-59(101)49(79-41(10)93)31-42-32-75-45-24-22-21-23-44(42)45/h21-24,32,35-40,43,46-50,53,75,91-92H,25-31,33-34H2,1-20H3,(H2,73,94)(H2,74,95)(H,76,99)(H,77,105)(H,78,106)(H,79,93)(H,80,100)(H,81,96)(H,82,97)(H,83,107)(H,84,108)(H,85,101)(H,86,98)(H,87,102)(H,88,103)(H,89,104)(H,90,109) |
| InChIKey | KAKBBMJKOKAIHQ-UHFFFAOYSA-N |
| Literature Reference Author | S.J.LEE,B.S.YUN,D.H.CHO,I.D.YOO |
| Literature Reference Citation | J.ANTIBIOTICS,52,998(1999) |
| Literature Reference DOI | 10.7164/antibiotics.52.998 |
| Molecular Weight | 1539.838 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRU1082 |