PRD_002392
UAW246
| Created: | 2020-06-08 |
| Last modified: | 2023-11-03 |
PRD_002392 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 6XBG.
Find Related PDB Entries |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 71 |
| Chiral Atom Count | 4 |
| Bond Count | 73 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | UAW246 |
| Systematic Name (OpenEye OEToolkits) | (phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate |
| Formula | C25 H36 N4 O6 |
| Molecular Weight | 488.577 |
| Type | PEPTIDE-LIKE |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)C(=O)NC3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NC(CC1CCNC1=O)C(C(=O)NC2CC2)O)NC(=O)OCc3ccccc3 |
| Canonical SMILES | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)C(=O)NC3CC3 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NC2CC2)O)NC(=O)OCc3ccccc3 |
| InChI | InChI | 1.06 | InChI=1S/C25H36N4O6/c1-15(2)12-20(29-25(34)35-14-16-6-4-3-5-7-16)23(32)28-19(13-17-10-11-26-22(17)31)21(30)24(33)27-18-8-9-18/h3-7,15,17-21,30H,8-14H2,1-2H3,(H,26,31)(H,27,33)(H,28,32)(H,29,34)/t17-,19-,20-,21+/m0/s1 |
| InChIKey | InChI | 1.06 | NLGCRPNMTFOQBJ-ZIBCJSCZSA-N |
