I10
Summary
| Name: | 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE |
| Formula: | C26 H31 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 481.607 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-biphenyl-3-yl-N-{(2R)-2-hydroxy-3-[(pyridin-2-ylsulfonyl)amino]propyl}-4-methylpentanamide |
| OpenEye OEToolkits | 1.5.0 | (2R)-N-[(2R)-2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]-4-methyl-2-(3-phenylphenyl)pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1ncccc1)NCC(O)CNC(=O)C(c3cccc(c2ccccc2)c3)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@@H](C(=O)NC[C@@H](O)CN[S](=O)(=O)c1ccccn1)c2cccc(c2)c3ccccc3 |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](C(=O)NC[CH](O)CN[S](=O)(=O)c1ccccn1)c2cccc(c2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@H](c1cccc(c1)c2ccccc2)C(=O)NC[C@H](CNS(=O)(=O)c3ccccn3)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(c1cccc(c1)c2ccccc2)C(=O)NCC(CNS(=O)(=O)c3ccccn3)O |
| InChI | InChI | 1.03 | InChI=1S/C26H31N3O4S/c1-19(2)15-24(22-12-8-11-21(16-22)20-9-4-3-5-10-20)26(31)28-17-23(30)18-29-34(32,33)25-13-6-7-14-27-25/h3-14,16,19,23-24,29-30H,15,17-18H2,1-2H3,(H,28,31)/t23-,24-/m1/s1 |
| InChIKey | InChI | 1.03 | YCDHZDINQZLSRR-DNQXCXABSA-N |
