RX6
Summary
| Name: | methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate |
| Formula: | C26 H41 Cl N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 525.081 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate |
| OpenEye OEToolkits | 1.7.0 | methyl N-[2-[(R)-(3-chlorophenyl)-[(3R)-1-[[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(c1)C(OCCNC(=O)OC)C3CCCN(C(=O)NC(CC2CCCOC2)CNC)C3 |
| SMILES_CANONICAL | CACTVS | 3.370 | CNC[C@H](C[C@H]1CCCOC1)NC(=O)N2CCC[C@H](C2)[C@@H](OCCNC(=O)OC)c3cccc(Cl)c3 |
| SMILES | CACTVS | 3.370 | CNC[CH](C[CH]1CCCOC1)NC(=O)N2CCC[CH](C2)[CH](OCCNC(=O)OC)c3cccc(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CNC[C@H](C[C@H]1CCCOC1)NC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CNCC(CC1CCCOC1)NC(=O)N2CCCC(C2)C(c3cccc(c3)Cl)OCCNC(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C26H41ClN4O5/c1-28-16-23(14-19-6-5-12-35-18-19)30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1 |
| InChIKey | InChI | 1.03 | GCNDDOJRCKHYLZ-ZXMXYHOLSA-N |
