BR4
Summary
| Name: | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-HEXANOIC ACID |
| Formula: | C25 H33 N O3 |
| Formal charge: | 0 |
| Formula weight: | 395.534 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4R)-6-phenyl-4-[(7-phenylheptanoyl)amino]hexanoic acid |
| OpenEye OEToolkits | 1.5.0 | (4R)-6-phenyl-4-(7-phenylheptanoylamino)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCC(NC(=O)CCCCCCc1ccccc1)CCc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC[C@@H](CCc1ccccc1)NC(=O)CCCCCCc2ccccc2 |
| SMILES | CACTVS | 3.341 | OC(=O)CC[CH](CCc1ccccc1)NC(=O)CCCCCCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCCCCC(=O)N[C@H](CCc2ccccc2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCCCCC(=O)NC(CCc2ccccc2)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C25H33NO3/c27-24(16-10-2-1-5-11-21-12-6-3-7-13-21)26-23(19-20-25(28)29)18-17-22-14-8-4-9-15-22/h3-4,6-9,12-15,23H,1-2,5,10-11,16-20H2,(H,26,27)(H,28,29)/t23-/m1/s1 |
| InChIKey | InChI | 1.03 | SMNHQYPORNSAQH-HSZRJFAPSA-N |
