ORW
Summary
| Name: | 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea |
| Formula: | C17 H27 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 333.429 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H27N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,12-13,15,18H,10-11H2,1-4H3,(H2,19,20,24)/b18-12-/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | DZXGVGCCLHWTMQ-BRYHAGSVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C=N |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\N(C)N(C)C(=O)[C@H](CC(C)C)NC(=O)NCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)N(C)N(C)C=N)NC(=O)NCc1ccccc1 |
