| SpectraBase Spectrum ID |
CE0I4vTfKHv |
| Name |
(2R)-2-[(1H-Indol-3-ylacetyl)amino]-3-methylbutanoic acid, N-methyl-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.163042573 u |
| Formula |
C17H22N2O3 |
| InChI |
InChI=1S/C17H22N2O3/c1-11(2)16(17(21)22-4)18-15(20)9-12-10-19(3)14-8-6-5-7-13(12)14/h5-8,10-11,16H,9H2,1-4H3,(H,18,20)/t16-/m1/s1 |
| InChIKey |
BSWKPOPOURADGQ-MRXNPFEDSA-N |
| SMILES |
C(C(N[C@](C(C)C)(C(OC)=O)[H])=O)C=1C2=C(C=CC=C2)N(C1)C |
![(2R)-2-[(1H-Indol-3-ylacetyl)amino]-3-methylbutanoic acid, N-methyl-, methyl ester](/api/spectrum/CE0I4vTfKHv/structure.png?h=300&w=458 "(2R)-2-[(1H-Indol-3-ylacetyl)amino]-3-methylbutanoic acid, N-methyl-, methyl ester")
