HUD/PRD_000958
TERT-BUTYL [(1S)-1-{[(1R,2S,5S)-2-({[(1S)-3-AMINO-1-(CYCLOPROPYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL]CARBONYL}-2,2-DIMETHYLPROPYL]CARBAMATE
HUD/PRD_000958 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 2OBO.
Find entries where PRD_000958 is present
Chemical Component Summary | |
|---|---|
| Name | TERT-BUTYL [(1S)-1-{[(1R,2S,5S)-2-({[(1S)-3-AMINO-1-(CYCLOPROPYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL]CARBONYL}-2,2-DIMETHYLPROPYL]CARBAMATE |
| Synonyms | ketoamide inhibitor SCH476776, bound form |
| Identifiers | tert-butyl N-[(2S)-1-[(1S,4S,5R)-4-[[(2S,3R)-4-azanyl-1-cyclopropyl-3-oxidanyl-4-oxidanylidene-butan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate |
| Formula | C26 H44 N4 O6 |
| Molecular Weight | 508.651 |
| Type | PEPTIDE-LIKE |
| Isomeric SMILES | CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)N)O)C |
| InChI | InChI=1S/C26H44N4O6/c1-24(2,3)19(29-23(35)36-25(4,5)6)22(34)30-12-14-16(26(14,7)8)17(30)21(33)28-15(11-13-9-10-13)18(31)20(27)32/h13-19,31H,9-12H2,1-8H3,(H2,27,32)(H,28,33)(H,29,35)/t14-,15-,16-,17-,18+,19+/m0/s1 |
| InChIKey | LJEXABSCSDSMLF-XREYTECCSA-N |
| Composition | Polymer Sequences: BOC-TBG-12L-1E1 |
| BIRD class | INHIBITOR |
| Represented As | SINGLE MOLECULE |
| Compound Details | n/a |
| Description | n/a |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 80 |
| Chiral Atom Count | 6 |
| Bond Count | 82 |
| Aromatic Bond Count | 0 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 24916899 |
