Y14
Summary
| Name: | N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide |
| Formula: | C26 H37 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 467.604 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide |
| OpenEye OEToolkits | 1.5.0 | N-[(2S)-1-[[(1R,3S)-3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxo-propan-2-yl]morpholine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)NC2(C#N)CCN(Cc1ccccc1)C2)CC3CCCCC3)N4CCOCC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C(N[C@]1(CCN(Cc2ccccc2)C1)C#N)[C@H](CC3CCCCC3)NC(=O)N4CCOCC4 |
| SMILES | CACTVS | 3.341 | O=C(N[C]1(CCN(Cc2ccccc2)C1)C#N)[CH](CC3CCCCC3)NC(=O)N4CCOCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[N@]2CC[C@](C2)(C#N)NC(=O)[C@H](CC3CCCCC3)NC(=O)N4CCOCC4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CN2CCC(C2)(C#N)NC(=O)C(CC3CCCCC3)NC(=O)N4CCOCC4 |
| InChI | InChI | 1.03 | InChI=1S/C26H37N5O3/c27-19-26(11-12-30(20-26)18-22-9-5-2-6-10-22)29-24(32)23(17-21-7-3-1-4-8-21)28-25(33)31-13-15-34-16-14-31/h2,5-6,9-10,21,23H,1,3-4,7-8,11-18,20H2,(H,28,33)(H,29,32)/t23-,26+/m0/s1 |
| InChIKey | InChI | 1.03 | OHVQFYYBGNOGJV-JYFHCDHNSA-N |
