LKV
Summary
| Name: | (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid |
| Formula: | C16 H20 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 304.341 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H20N2O4/c1-9(2)13(14(19)17-10(3)16(21)22)18-8-11-6-4-5-7-12(11)15(18)20/h4-7,9-10,13H,8H2,1-3H3,(H,17,19)(H,21,22)/t10-,13-/m0/s1 |
| InChIKey | InChI | 1.06 | ZLJCDMXBPPBVSF-GWCFXTLKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N[C@@H](C)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](N1Cc2ccccc2C1=O)C(=O)N[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(=O)NC(C)C(=O)O)N1Cc2ccccc2C1=O |
