PRD_000919
Summary
| Name: | N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide |
| Formula: | C19 H37 N5 O5 |
| Formal charge: | 0 |
| Fomular weight: | 415.528 |
| Component type: | peptide-like |
| Polymer sequences: | 2HM, TBG, ALA, EDN |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | single molecule |
| Program | Version | Name |
| ACDLabs | 12.01 | N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide |
| OpenEye OEToolkits | 1.7.0 | (2R)-N-[(2S)-1-[[1-(2-azanylethylamino)-1-oxo-propan-2-yl]amino]-3,3-dimethyl-1-oxo-butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NO)CC(C(=O)NC(C(=O)NC(C(=O)NCCN)C)C(C)(C)C)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCCN)C(C)(C)C |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](CC(=O)NO)C(=O)N[CH](C(=O)N[CH](C)C(=O)NCCN)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)/t12-,13+,15+/m0/s1 |
| InChIKey | InChI | 1.03 | LMIQCBIEAHJAMZ-GZBFAFLISA-N |
