| SpectraBase Compound ID | Cg3abBGd8zr |
|---|---|
| InChI | InChI=1S/C20H27N3O6/c1-5-16(20(28)29-17(25)11-15-9-7-6-8-10-15)23-19(27)13(3)22-18(26)12(2)21-14(4)24/h6-10,12-13,16H,5,11H2,1-4H3,(H,21,24)(H,22,26)(H,23,27)/t12-,13-,16-/m0/s1 |
| InChIKey | FYWGJWNXLDDYOC-XEZPLFJOSA-N |
| Mol Weight | 405.45 g/mol |
| Molecular Formula | C20H27N3O6 |
| Exact Mass | 405.189986 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BlGTNWDBKss |
|---|---|
| Name | Ac-L-ala-L-ala-D,L-abu keto benzyl ester |
| Alternate Name(s) | (2S)-1-[((2S)-2-{[(2S)-2-(acetylamino)propanoyl]amino}propanoyl)amino]butanoic phenylacetic anhydride |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H27N3O6 |
| InChI | InChI=1S/C20H27N3O6/c1-5-16(20(28)29-17(25)11-15-9-7-6-8-10-15)23-19(27)13(3)22-18(26)12(2)21-14(4)24/h6-10,12-13,16H,5,11H2,1-4H3,(H,21,24)(H,22,26)(H,23,27)/t12-,13-,16-/m0/s1 |
| InChIKey | FYWGJWNXLDDYOC-XEZPLFJOSA-N |
| Molecular Weight | 405.451 g/mol |
| SMILES | N(C([C@@](NC([C@@](NC(=O)C)(C)[H])=O)(C)[H])=O)[C@](C(OC(=O)Cc1ccccc1)=O)(CC)[H] |
| SPLASH | splash10-0006-9300000000-1ddc90c8ef9c579df80c |
| Source of Spectrum | GT-1986-110-0 |
| Wiley ID | 1371706 |