| SpectraBase Compound ID | By0ul0TMxNa |
|---|---|
| InChI | InChI=1S/C56H73N7O12/c1-33(2)44(60-51(69)46(36(6)64)62-54(73)74-32-38-23-15-11-16-24-38)49(67)59-45(34(3)4)50(68)61-47(37(7)75-55(8,9)10)52(70)58-42(48(66)57-35(5)53(71)72)31-43(65)63-56(39-25-17-12-18-26-39,40-27-19-13-20-28-40)41-29-21-14-22-30-41/h11-30,33-37,42,44-47,64H,31-32H2,1-10H3,(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,61,68)(H,62,73)(H,63,65)(H,71,72)/t35-,36-,37+,42+,44+,45-,46-,47+/m0/s1 |
| InChIKey | WAGLMYBVAQHFMS-JHLLVJRCSA-N |
| Mol Weight | 1036.2 g/mol |
| Molecular Formula | C56H73N7O12 |
| Exact Mass | 1035.531721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1M1TnPpl1Xa |
|---|---|
| Name | CBZ-L-THR-D-VAL-L-VAL-D-ALLO-THR(TERT.-BUTYL)-D-ASN(TRT)-L-ALA-OH |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H73N7O12 |
| InChI | InChI=1S/C56H73N7O12/c1-33(2)44(60-51(69)46(36(6)64)62-54(73)74-32-38-23-15-11-16-24-38)49(67)59-45(34(3)4)50(68)61-47(37(7)75-55(8,9)10)52(70)58-42(48(66)57-35(5)53(71)72)31-43(65)63-56(39-25-17-12-18-26-39,40-27-19-13-20-28-40)41-29-21-14-22-30-41/h11-30,33-37,42,44-47,64H,31-32H2,1-10H3,(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,61,68)(H,62,73)(H,63,65)(H,71,72)/t35-,36-,37+,42+,44+,45-,46-,47+/m0/s1 |
| InChIKey | WAGLMYBVAQHFMS-JHLLVJRCSA-N |
| Literature Reference Author | J.R.COCHRANE,D.H.YOON,C.S.P.MCERLEAN,K.A.JOLLIFFE |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,1344(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.154 |
| Molecular Weight | 1036.235 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR11038 |