S80
Summary
| Name: | N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-2-OXO-AZEPAN-3-YL]-SUCCINAMIDE |
| Synonyms: | A DISUBSTITUTED SUCCINYL CAPROLACTAM HYDROXYMATE MMP3 INHIBITOR |
| Formula: | C20 H37 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 415.524 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3R)-N~1~-hydroxy-2-(3-hydroxypropyl)-N~4~-[(3S)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)butanediamide |
| OpenEye OEToolkits | 1.5.0 | (3R)-N-hydroxy-2-(3-hydroxypropyl)-N'-[(3S)-1-(2-methoxyethyl)-2-oxo-azepan-3-yl]-3-(2-methylpropyl)butanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NO)C(CCCO)C(C(=O)NC1C(=O)N(CCOC)CCCC1)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COCCN1CCCC[C@H](NC(=O)[C@H](CC(C)C)[C@H](CCCO)C(=O)NO)C1=O |
| SMILES | CACTVS | 3.341 | COCCN1CCCC[CH](NC(=O)[CH](CC(C)C)[CH](CCCO)C(=O)NO)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@H](C(CCCO)C(=O)NO)C(=O)N[C@H]1CCCCN(C1=O)CCOC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(CCCO)C(=O)NO)C(=O)NC1CCCCN(C1=O)CCOC |
| InChI | InChI | 1.03 | InChI=1S/C20H37N3O6/c1-14(2)13-16(15(7-6-11-24)19(26)22-28)18(25)21-17-8-4-5-9-23(20(17)27)10-12-29-3/h14-17,24,28H,4-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,17-/m0/s1 |
| InChIKey | InChI | 1.03 | JLEGVELHGVWFGG-BBWFWOEESA-N |
