BHP
Summary
| Name: | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID |
| Formula: | C31 H37 N O4 |
| Formal charge: | 0 |
| Formula weight: | 487.63 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4S)-5-[4-(benzyloxy)phenyl]-4-[(7-phenylheptanoyl)amino]pentanoic acid |
| OpenEye OEToolkits | 1.5.0 | (4S)-4-(7-phenylheptanoylamino)-5-(4-phenylmethoxyphenyl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCC(NC(=O)CCCCCCc1ccccc1)Cc3ccc(OCc2ccccc2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc3ccccc3 |
| SMILES | CACTVS | 3.341 | OC(=O)CC[CH](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCCCCC(=O)NC(CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1 |
| InChIKey | InChI | 1.03 | KWLUIYFCMHKLKY-NDEPHWFRSA-N |
