FH9
Summary
| Name: | (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid |
| Formula: | C21 H40 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 412.567 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H40N4O4/c1-15(2)11-13-23-19(26)18(14-16-8-4-3-5-9-16)25-21(29)24-17(20(27)28)10-6-7-12-22/h15-18H,3-14,22H2,1-2H3,(H,23,26)(H,27,28)(H2,24,25,29)/t17-,18+/m0/s1 |
| InChIKey | InChI | 1.03 | PNONBGCPQRQQBB-ZWKOTPCHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)CCNC(=O)[CH](CC1CCCCC1)NC(=O)N[CH](CCCCN)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CCNC(=O)C(CC1CCCCC1)NC(=O)NC(CCCCN)C(=O)O |
