PRD_000321
N-{(2S)-2-[(L-asparaginyl-L-leucyl)amino]-1,1-dihydroxy-4-methylpentyl}-L-threonyl-L-glutaminyl-L-isoleucine
PRD_000321 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 3B80.
Chemical Component Summary | |
|---|---|
| Name | N-{(2S)-2-[(L-asparaginyl-L-leucyl)amino]-1,1-dihydroxy-4-methylpentyl}-L-threonyl-L-glutaminyl-L-isoleucine |
| Identifiers | (2S,3S)-2-[[(2S)-5-azanyl-2-[[(2R,3R)-2-[[2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-1,1-bis(oxidanyl)pentyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoic acid |
| Formula | C31 H58 N8 O11 |
| Molecular Weight | 718.839 |
| Type | PEPTIDE-LIKE |
| Isomeric SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]([C@@H](C)O)NC(C(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)N)(O)O |
| InChI | InChI=1S/C31H58N8O11/c1-8-16(6)24(30(47)48)38-27(44)19(9-10-22(33)41)35-29(46)25(17(7)40)39-31(49,50)21(12-15(4)5)37-28(45)20(11-14(2)3)36-26(43)18(32)13-23(34)42/h14-21,24-25,39-40,49-50H,8-13,32H2,1-7H3,(H2,33,41)(H2,34,42)(H,35,46)(H,36,43)(H,37,45)(H,38,44)(H,47,48)/t16-,17+,18-,19-,20?,21-,24?,25-/m0/s1 |
| InChIKey | WWPIJPCSTRLOKB-FLGPMGMASA-N |
| Composition | Polymer Sequences: ASN-LEU-LNT-GLN-ILE |
| BIRD class | INHIBITOR |
| Represented As | POLYMER |
| Compound Details | n/a |
| Description | n/a |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 108 |
| Chiral Atom Count | 8 |
| Bond Count | 107 |
| Aromatic Bond Count | 0 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 23627202 |
