IVF
Summary
| Name: | N-(iodoacetyl)-L-valyl-L-phenylalaninamide |
| Synonyms: | iodoacetyl-valyl-phenylalanyl-amide |
| Formula: | C16 H22 I N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 431.269 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(iodoacetyl)-L-valyl-L-phenylalaninamide |
| OpenEye OEToolkits | 1.7.6 | (2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(2-iodanylethanoylamino)-3-methyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ICC(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C16H22IN3O3/c1-10(2)14(20-13(21)9-17)16(23)19-12(15(18)22)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | IBXSBHDYMGMZJA-JSGCOSHPSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[C@H](NC(=O)CI)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
| SMILES | CACTVS | 3.370 | CC(C)[CH](NC(=O)CI)C(=O)N[CH](Cc1ccccc1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)CI |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C(C(=O)NC(Cc1ccccc1)C(=O)N)NC(=O)CI |
