QIX
Summary
| Name: | N~2~-[(2R)-4-(HYDROXYAMINO)-2-(2-NAPHTHYLMETHYL)-4-OXOBUTANOYL]-L-ARGINYLGLYCYLGLYCINAMIDE |
| Formula: | C25 H34 N8 O6 |
| Formal charge: | 0 |
| Formula weight: | 542.587 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~2~-[(2R)-4-(hydroxyamino)-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]-L-arginylglycylglycinamide |
| OpenEye OEToolkits | 1.5.0 | (2R)-N-[(2S)-1-[[2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-5-carbamimidamido-1-oxo-pentan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)CNC(=O)CNC(=O)C(NC(=O)C(CC(=O)NO)Cc2ccc1c(cccc1)c2)CCCNC(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)NCC(=O)NCC(N)=O |
| SMILES | CACTVS | 3.341 | NC(=N)NCCC[CH](NC(=O)[CH](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)NCC(=O)NCC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/N)\NCCC[C@@H](C(=O)NCC(=O)NCC(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)CC(=O)NO |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NCCCC(C(=O)NCC(=O)NCC(=O)N)NC(=O)C(Cc1ccc2ccccc2c1)CC(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C25H34N8O6/c26-20(34)13-30-22(36)14-31-24(38)19(6-3-9-29-25(27)28)32-23(37)18(12-21(35)33-39)11-15-7-8-16-4-1-2-5-17(16)10-15/h1-2,4-5,7-8,10,18-19,39H,3,6,9,11-14H2,(H2,26,34)(H,30,36)(H,31,38)(H,32,37)(H,33,35)(H4,27,28,29)/t18-,19+/m1/s1 |
| InChIKey | InChI | 1.03 | NINUSDCYEXCHSI-MOPGFXCFSA-N |
