CJO
Summary
| Name: | [(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid |
| Formula: | C15 H21 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 323.344 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[(4R)-2-[(1R,2R)-1-amino-2-hydroxy-propyl]-4-[(4-hydroxyphenyl)methyl]-5-oxo-imidazolidin-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(CC(=O)O)C(NC1Cc2ccc(O)cc2)C(N)C(O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](O)[C@H](N)[C@@H]1N[C@H](Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](O)[CH](N)[CH]1N[CH](Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]([C@@H](C1N[C@@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(C1NC(C(=O)N1CC(=O)O)Cc2ccc(cc2)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C15H21N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,11,13-14,17,19-20H,6-7,16H2,1H3,(H,21,22)/t8-,11-,13+,14?/m1/s1 |
| InChIKey | InChI | 1.03 | BZMNQTKYDIZOBE-CZVDBWHYSA-N |
