0HT/PRD_000308
methyl N-[(3R)-3-amino-5-methyl-2-oxohexyl]-L-valyl-L-isoleucyl-L-phenylalaninate
0HT/PRD_000308 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 5ER1.
Find entries where PRD_000308 is present
Chemical Component Summary | |
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Name | methyl N-[(3R)-3-amino-5-methyl-2-oxohexyl]-L-valyl-L-isoleucyl-L-phenylalaninate |
Identifiers | methyl (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-3-azanyl-2-hydroxy-5-methyl-hexyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate |
Formula | C28 H48 N4 O5 |
Molecular Weight | 520.705 |
Type | PEPTIDE-LIKE |
Isomeric SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C(C)C)NC[C@@H]([C@H](CC(C)C)N)O |
InChI | InChI=1S/C28H48N4O5/c1-8-19(6)25(27(35)31-22(28(36)37-7)15-20-12-10-9-11-13-20)32-26(34)24(18(4)5)30-16-23(33)21(29)14-17(2)3/h9-13,17-19,21-25,30,33H,8,14-16,29H2,1-7H3,(H,31,35)(H,32,34)/t19-,21-,22-,23-,24-,25-/m0/s1 |
InChIKey | JAELWYBMQVXTOC-ACUVNOOJSA-N |
Composition | Polymer Sequences: GKL-ILE-0A9 |
BIRD class | INHIBITOR |
Represented As | SINGLE MOLECULE |
Compound Details | n/a |
Description | n/a |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 85 |
Chiral Atom Count | 6 |
Bond Count | 85 |
Aromatic Bond Count | 6 |
Related Resource References
Resource Name | Reference |
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PubChem | 449548 |