5ZP
Summary
| Name: | (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide |
| Formula: | C31 H33 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 507.626 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C31H33N5O2/c1-17(2)24(16-27(37)32-18(3)20-9-6-5-7-10-20)30-35-36-31(38-30)25-15-26-23-12-8-11-22(21-13-14-21)28(23)34-29(26)33-19(25)4/h5-12,15,17-18,21,24H,13-14,16H2,1-4H3,(H,32,37)(H,33,34)/t18-,24+/m1/s1 |
| InChIKey | InChI | 1.03 | PHZKSLPIUQGPAT-KOSHJBKYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](CC(=O)N[C@H](C)c1ccccc1)c2oc(nn2)c3cc4c([nH]c5c(cccc45)C6CC6)nc3C |
| SMILES | CACTVS | 3.385 | CC(C)[CH](CC(=O)N[CH](C)c1ccccc1)c2oc(nn2)c3cc4c([nH]c5c(cccc45)C6CC6)nc3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)c5nnc(o5)[C@@H](CC(=O)N[C@H](C)c6ccccc6)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)c5nnc(o5)C(CC(=O)NC(C)c6ccccc6)C(C)C |
