BB2
Summary
Name: | ACTINONIN |
Synonyms: | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEPTANOIC ACID [1-(2-HYDROXYMETHYL-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-AMIDE |
Formula: | C19 H35 N3 O5 |
Formal charge: | 0 |
Formula weight: | 385.498 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2R)-N~4~-hydroxy-N~1~-[(1S)-1-{[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-2-methylpropyl]-2-pentylbutanediamide |
OpenEye OEToolkits | 1.5.0 | (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxo-butan-2-yl]-2-pentyl-butanediamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N1C(CO)CCC1)C(NC(=O)C(CC(=O)NO)CCCCC)C(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO |
SMILES | CACTVS | 3.341 | CCCCC[CH](CC(=O)NO)C(=O)N[CH](C(C)C)C(=O)N1CCC[CH]1CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(CC(=O)NO)C(=O)NC(C(C)C)C(=O)N1CCCC1CO |
InChI | InChI | 1.03 | InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1 |
InChIKey | InChI | 1.03 | XJLATMLVMSFZBN-VYDXJSESSA-N |