| SpectraBase Spectrum ID |
Br7vtnZKbcT |
| Name |
2(R)-(Benzyloxymethyl)-1-[2'(S)-(T-butoxycarbonyl)amino]-3'-methylpentanoyl]-1,2,5,6-tetrahydropyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.267507643 u |
| Formula |
C24H36N2O4 |
| InChI |
InChI=1S/C24H36N2O4/c1-6-18(2)21(25-23(28)30-24(3,4)5)22(27)26-15-11-10-14-20(26)17-29-16-19-12-8-7-9-13-19/h7-10,12-14,18,20-21H,6,11,15-17H2,1-5H3,(H,25,28)/t18?,20-,21+/m1/s1 |
| InChIKey |
ZOGWIXXAGXOJJJ-HBYOEVMUSA-N |
| Molecular Weight |
416.562 g/mol |
| SMILES |
C(N1[C@](C=CCC1)(COCC1=CC=CC=C1)[H])([C@@](NC(OC(C)(C)C)=O)(C(CC)C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885123 |
![2(R)-(Benzyloxymethyl)-1-[2'(S)-(t-butoxycarbonyl)amino]-3'-methylpentanoyl]-1,2,5,6-tetrahydropyridine](/api/spectrum/Br7vtnZKbcT/structure.png?h=300&w=458 "2(R)-(Benzyloxymethyl)-1-[2'(S)-(t-butoxycarbonyl)amino]-3'-methylpentanoyl]-1,2,5,6-tetrahydropyridine")
