GKX
Summary
| Name: | (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid |
| Formula: | C20 H29 N O3 |
| Formal charge: | 0 |
| Formula weight: | 331.449 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H29NO3/c22-19(14-8-7-11-16-9-3-1-4-10-16)21-18(20(23)24)15-17-12-5-2-6-13-17/h2,5-6,12-13,16,18H,1,3-4,7-11,14-15H2,(H,21,22)(H,23,24)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | HMRCCMCZAAWOCJ-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCC2CCCCC2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCC2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCC2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(C(=O)O)NC(=O)CCCCC2CCCCC2 |
