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Summary
Name: | (1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N-HYDROXYCARBOXAMIDO-(4S)-METHANESULFONYLAMINO-PYRROLIDINE |
Formula: | C16 H25 N3 O7 S2 |
Formal charge: | 0 |
Formula weight: | 435.516 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (4S)-1-[(4-butoxyphenyl)sulfonyl]-N-hydroxy-4-[(methylsulfonyl)amino]-D-prolinamide |
OpenEye OEToolkits | 1.5.0 | (1R,2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(methylsulfonylamino)pyrrolidine-2-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccc(OCCCC)cc1)N2C(C(=O)NO)CC(NS(=O)(=O)C)C2 |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCOc1ccc(cc1)[S](=O)(=O)N2C[C@H](C[C@@H]2C(=O)NO)N[S](C)(=O)=O |
SMILES | CACTVS | 3.341 | CCCCOc1ccc(cc1)[S](=O)(=O)N2C[CH](C[CH]2C(=O)NO)N[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCOc1ccc(cc1)S(=O)(=O)[N@@]2C[C@H](C[C@@H]2C(=O)NO)NS(=O)(=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCOc1ccc(cc1)S(=O)(=O)N2CC(CC2C(=O)NO)NS(=O)(=O)C |
InChI | InChI | 1.03 | InChI=1S/C16H25N3O7S2/c1-3-4-9-26-13-5-7-14(8-6-13)28(24,25)19-11-12(18-27(2,22)23)10-15(19)16(20)17-21/h5-8,12,15,18,21H,3-4,9-11H2,1-2H3,(H,17,20)/t12-,15+/m0/s1 |
InChIKey | InChI | 1.03 | ULDXUWXTVRRUND-SWLSCSKDSA-N |