| SpectraBase Spectrum ID |
3NCPYJIDBiF |
| Name |
N-{(2R,3R)-1-[[N-(tert-Butoxycarbonyl)-(S)-phenylalanyl]-3-(ethoxycarbonyl)aziridin-2-yl]carbonyl}-(S)-Leucine Benzyl Ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H43N3O8 |
| InChI |
InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25-,26+,27+,36?/m0/s1 |
| InChIKey |
ZDAVRRBEGAWJCW-KCWRJSFESA-N |
| Molecular Weight |
609.720 g/mol |
| SMILES |
N(C([C@@]1(N(C([C@@](NC(OC(C)(C)C)=O)(Cc2ccccc2)[H])=O)[C@]1(C(=O)OCC)[H])[H])=O)[C@](C(OCc1ccccc1)=O)(CC(C)C)[H] |
| SPLASH |
splash10-014i-0000904000-b42f824a9cd9a643da5a |
| Source of Spectrum |
F2-42-568-21 |
| Synonyms |
(2R,3R)-3-[[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-oxomethyl]-1-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-aziridinecarboxylic acid ethyl ester
ethyl (2R,3R)-3-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]aziridine-2-carboxylate
ethyl (2R,3R)-3-[[(1S)-1-benzyloxycarbonyl-3-methyl-butyl]carbamoyl]-1-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]aziridine-2-carboxylate
ethyl (2R,3R)-3-[[(2S)-4-methyl-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl]carbamoyl]-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]aziridine-2-carboxylate |
| Wiley ID |
1600030 |
![N-{(2R,3R)-1-[[N-(tert-Butoxycarbonyl)-(S)-phenylalanyl]-3-(ethoxycarbonyl)aziridin-2-yl]carbonyl}-(S)-Leucine Benzyl Ester](/api/spectrum/3NCPYJIDBiF/structure.png?h=300&w=458 "N-{(2R,3R)-1-[[N-(tert-Butoxycarbonyl)-(S)-phenylalanyl]-3-(ethoxycarbonyl)aziridin-2-yl]carbonyl}-(S)-Leucine Benzyl Ester")
