L2X
Summary
| Name: | (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide |
| Synonyms: | (2S,3S)-2-N-[(1S)-1-(benzylcarbamoyl)-2-phenylethyl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide |
| Formula: | C28 H29 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 487.547 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-~{N}3-[2-(4-hydroxyphenyl)ethyl]-~{N}2-[(2~{S})-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H29N3O5/c32-22-13-11-19(12-14-22)15-16-29-27(34)24-25(36-24)28(35)31-23(17-20-7-3-1-4-8-20)26(33)30-18-21-9-5-2-6-10-21/h1-14,23-25,32H,15-18H2,(H,29,34)(H,30,33)(H,31,35)/t23-,24-,25-/m0/s1 |
| InChIKey | InChI | 1.06 | ZMZQYVMNDRBKLO-SDHOMARFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CCNC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)NCc4ccccc4)cc1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(CCNC(=O)[CH]2O[CH]2C(=O)N[CH](Cc3ccccc3)C(=O)NCc4ccccc4)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@@H](C(=O)NCc2ccccc2)NC(=O)[C@@H]3[C@H](O3)C(=O)NCCc4ccc(cc4)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(C(=O)NCc2ccccc2)NC(=O)C3C(O3)C(=O)NCCc4ccc(cc4)O |
