HVX
Summary
| Name: | (2S)-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid |
| Formula: | C33 H33 N O4 |
| Formal charge: | 0 |
| Formula weight: | 507.619 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C33H33NO4/c1-3-5-17-38-29-16-9-21(18-22(4-2)33(36)37)19-26(29)20-34-32(35)28-15-13-25-11-10-23-7-6-8-24-12-14-27(28)31(25)30(23)24/h6-16,19,22H,3-5,17-18,20H2,1-2H3,(H,34,35)(H,36,37)/t22-/m0/s1 |
| InChIKey | InChI | 1.03 | WSOVEWUQPNQRKQ-QFIPXVFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCOc1ccc(C[C@H](CC)C(O)=O)cc1CNC(=O)c2ccc3ccc4cccc5ccc2c3c45 |
| SMILES | CACTVS | 3.385 | CCCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc3ccc4cccc5ccc2c3c45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCOc1ccc(cc1CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)C[C@H](CC)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCOc1ccc(cc1CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)CC(CC)C(=O)O |
