A1BWS
Summary
| Name: | (3S)-4-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-4-oxobutanoic acid |
| Formula: | C10 H18 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 246.26 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-4-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-4-oxobutanoic acid |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-4-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)CC(O)C(=O)NC(CC(C)C)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C10H18N2O5/c1-5(2)3-6(9(11)16)12-10(17)7(13)4-8(14)15/h5-7,13H,3-4H2,1-2H3,(H2,11,16)(H,12,17)(H,14,15)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.06 | LHEOILLGVMWLIK-BQBZGAKWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)[C@@H](O)CC(O)=O)C(N)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)[CH](O)CC(O)=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)CC(C(=O)N)NC(=O)C(CC(=O)O)O |
