| SpectraBase Compound ID | FsBLPv3UzAX |
|---|---|
| InChI | InChI=1S/C28H37N3O7/c1-18(2)15-22(28(36)37-4)29-27(35)24(19(3)32)31-26(34)23(17-38-16-20-11-7-5-8-12-20)30-25(33)21-13-9-6-10-14-21/h5-14,18-19,22-24,32H,15-17H2,1-4H3,(H,29,35)(H,30,33)(H,31,34)/t19-,22+,23+,24+/m1/s1 |
| InChIKey | YTPFSJOODUAFCP-DLTYFMDKSA-N |
| Mol Weight | 527.6 g/mol |
| Molecular Formula | C28H37N3O7 |
| Exact Mass | 527.263151 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HMJmwZCGuCj |
|---|---|
| Name | N-(O-Benzyl-N-benzoyl-L-seryl)-L-threonyl-L-leucine methyl ester |
| Appearance | Syrup |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 527.263150536 u |
| Formula | C28H37N3O7 |
| InChI | InChI=1S/C28H37N3O7/c1-18(2)15-22(28(36)37-4)29-27(35)24(19(3)32)31-26(34)23(17-38-16-20-11-7-5-8-12-20)30-25(33)21-13-9-6-10-14-21/h5-14,18-19,22-24,32H,15-17H2,1-4H3,(H,29,35)(H,30,33)(H,31,34)/t19-,22+,23+,24+/m1/s1 |
| InChIKey | YTPFSJOODUAFCP-DLTYFMDKSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/chem.201703758 |
| Molecular Weight | 527.618 g/mol |
| Optical Rotation | [a]D = -15 (c = 0.17, CHCl3) |
| Quality | 12 |
| Reported Formula | C28H37N3O7 |
| SMILES | N(C([C@@](NC(=O)C1=CC=CC=C1)(COCC1=CC=CC=C1)[H])=O)[C@@]([C@](O)(C)[H])(C(=O)N[C@](C(OC)=O)(CC(C)C)[H])[H] |
| SPLASH | splash10-0a4i-0910000000-3b2c1db9dc50f040e63e |
| Source of Spectrum | QE-24-SM5-10 (DOI: 10.1002/chem.201703758) |
| Wiley ID | 1901478 |