![N-[(BENZYLOXY)-CARBONYL]-L-LEUCYL-2-METHYLALANYL-L-PROLYL-L-VALYL-2-METHYLALANINYL-2-METHYLALANYL-0-(5)-BENZYL-L-GLUTAM-1-YL-L-GLUTAMINYL-L-PHENYLALANINOL;COMP](/api/spectrum/HqwIP3Pm0oC/structure.png?h=300&w=458 "N-[(BENZYLOXY)-CARBONYL]-L-LEUCYL-2-METHYLALANYL-L-PROLYL-L-VALYL-2-METHYLALANINYL-2-METHYLALANYL-0-(5)-BENZYL-L-GLUTAM-1-YL-L-GLUTAMINYL-L-PHENYLALANINOL;COMP")
| SpectraBase Compound ID | E96d827jlVZ |
|---|---|
| InChI | InChI=1S/C62H88N10O14/c1-38(2)33-46(67-59(84)86-37-42-25-18-13-19-26-42)53(78)69-62(9,10)58(83)72-32-20-27-47(72)54(79)68-50(39(3)4)55(80)70-61(7,8)57(82)71-60(5,6)56(81)66-45(29-31-49(75)85-36-41-23-16-12-17-24-41)52(77)65-44(28-30-48(63)74)51(76)64-43(35-73)34-40-21-14-11-15-22-40/h11-19,21-26,38-39,43-47,50,73H,20,27-37H2,1-10H3,(H2,63,74)(H,64,76)(H,65,77)(H,66,81)(H,67,84)(H,68,79)(H,69,78)(H,70,80)(H,71,82)/t43?,44-,45?,46-,47?,50-/m1/s1 |
| InChIKey | DFRXSMKEOZPQGL-HCIFOWQGSA-N |
| Mol Weight | 1197.4 g/mol |
| Molecular Formula | C62H88N10O14 |
| Exact Mass | 1196.648148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqwIP3Pm0oC |
|---|---|
| Name | N-[(BENZYLOXY)-CARBONYL]-L-LEUCYL-2-METHYLALANYL-L-PROLYL-L-VALYL-2-METHYLALANINYL-2-METHYLALANYL-0-(5)-BENZYL-L-GLUTAM-1-YL-L-GLUTAMINYL-L-PHENYLALANINOL;COMP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H88N10O14 |
| InChI | InChI=1S/C62H88N10O14/c1-38(2)33-46(67-59(84)86-37-42-25-18-13-19-26-42)53(78)69-62(9,10)58(83)72-32-20-27-47(72)54(79)68-50(39(3)4)55(80)70-61(7,8)57(82)71-60(5,6)56(81)66-45(29-31-49(75)85-36-41-23-16-12-17-24-41)52(77)65-44(28-30-48(63)74)51(76)64-43(35-73)34-40-21-14-11-15-22-40/h11-19,21-26,38-39,43-47,50,73H,20,27-37H2,1-10H3,(H2,63,74)(H,64,76)(H,65,77)(H,66,81)(H,67,84)(H,68,79)(H,69,78)(H,70,80)(H,71,82)/t43?,44-,45?,46-,47?,50-/m1/s1 |
| InChIKey | DFRXSMKEOZPQGL-HCIFOWQGSA-N |
| Literature Reference Author | P.WIPF,H.HEIMGARTNER |
| Literature Reference Citation | HELV.CHIM.ACTA,73,13(1990) |
| Literature Reference DOI | 10.1002/hlca.19900730103 |
| Molecular Weight | 1197.439 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS12391 |