WOH
Summary
| Name: | benzyl {(2S)-1-[2-(3-amino-3-oxopropyl)-2-(chloroacetyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl}carbamate (non-preferred name) |
| Formula: | C19 H27 Cl N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 426.894 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | benzyl {(2S)-1-[2-(3-amino-3-oxopropyl)-2-(chloroacetyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl}carbamate (non-preferred name) |
| OpenEye OEToolkits | 2.0.7 | (phenylmethyl) ~{N}-[(2~{S})-1-[2-(3-azanyl-3-oxidanylidene-propyl)-2-(2-chloranylethanoyl)hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClCC(=O)N(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C19H27ClN4O5/c1-13(2)10-15(22-19(28)29-12-14-6-4-3-5-7-14)18(27)23-24(17(26)11-20)9-8-16(21)25/h3-7,13,15H,8-12H2,1-2H3,(H2,21,25)(H,22,28)(H,23,27)/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | SEDQMDCLDZNPIX-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NN(CCC(N)=O)C(=O)CCl |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)NN(CCC(N)=O)C(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](C(=O)NN(CCC(=O)N)C(=O)CCl)NC(=O)OCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NN(CCC(=O)N)C(=O)CCl)NC(=O)OCc1ccccc1 |
