FRP
Summary
| Name: | N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE |
| Formula: | C33 H41 F N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 560.702 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N'-{(1S,2S,4R)-2-amino-1-benzyl-5-[(4-fluorophenyl)amino]-4-methyl-5-oxopentyl}-N,N-dipropylbenzene-1,3-dicarboxamide |
| OpenEye OEToolkits | 1.5.0 | N'-[(2S,3S,5R)-3-amino-6-[(4-fluorophenyl)amino]-5-methyl-6-oxo-1-phenyl-hexan-2-yl]-N,N-dipropyl-benzene-1,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc3ccc(NC(=O)C(C)CC(N)C(NC(=O)c1cccc(C(=O)N(CCC)CCC)c1)Cc2ccccc2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](N)C[C@@H](C)C(=O)Nc3ccc(F)cc3 |
| SMILES | CACTVS | 3.341 | CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[CH](Cc2ccccc2)[CH](N)C[CH](C)C(=O)Nc3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)Nc3ccc(cc3)F)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCN(CCC)C(=O)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(CC(C)C(=O)Nc3ccc(cc3)F)N |
| InChI | InChI | 1.03 | InChI=1S/C33H41FN4O3/c1-4-18-38(19-5-2)33(41)26-13-9-12-25(22-26)32(40)37-30(21-24-10-7-6-8-11-24)29(35)20-23(3)31(39)36-28-16-14-27(34)15-17-28/h6-17,22-23,29-30H,4-5,18-21,35H2,1-3H3,(H,36,39)(H,37,40)/t23-,29+,30+/m1/s1 |
| InChIKey | InChI | 1.03 | PZHFCAIXAVDQAK-STQWGSIPSA-N |
