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.

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Chemical Component Summary

Namemethyl N-[(3R)-3-amino-5-methyl-2-oxohexyl]-L-valyl-L-isoleucyl-L-phenylalaninate
Identifiersmethyl (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
FormulaC28 H48 N4 O5
Molecular Weight520.705
TypePEPTIDE-LIKE
Isomeric SMILESCC[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
InChIInChI=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
InChIKeyJAELWYBMQVXTOC-ACUVNOOJSA-N
CompositionPolymer Sequences: GKL-ILE-0A9
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count85
Chiral Atom Count6
Bond Count85
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 449548