K7I
Summary
| Name: | L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide |
| Synonyms: | ALA-ALA-PHE-CHLOROMETHYL KETONE |
| Formula: | C16 H25 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 307.388 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S,3R)-3-hydroxy-1-phenyl-butan-2-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)NC(Cc1ccccc1)C(O)C)C)C(N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](C)O |
| SMILES | CACTVS | 3.341 | C[CH](N)C(=O)N[CH](C)C(=O)N[CH](Cc1ccccc1)[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(C)N)O |
| InChI | InChI | 1.03 | InChI=1S/C16H25N3O3/c1-10(17)15(21)18-11(2)16(22)19-14(12(3)20)9-13-7-5-4-6-8-13/h4-8,10-12,14,20H,9,17H2,1-3H3,(H,18,21)(H,19,22)/t10-,11-,12+,14-/m0/s1 |
| InChIKey | InChI | 1.03 | CPAOOGAUUDSJCS-FMSGJZPZSA-N |
