PRD_000781

Thr-Asp-F-amidine

PRD_000781 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4DKT.

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Chemical Component Summary
Name	Thr-Asp-F-amidine
Identifiers	(3S)-3-[[(2S,3R)-2-acetamido-3-oxidanyl-butanoyl]amino]-4-[[1-azanyl-5-(2-fluoranylethanimidoylamino)-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid
Formula	C₁₇ H₂₉ F N₆ O₇
Molecular Weight	448.447
Type	PEPTIDE-LIKE
Isomeric SMILES	[H]/N=C(/CF)\NCCCC(C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)C
InChI	InChI=1S/C17H29FN6O7/c1-8(25)14(22-9(2)26)17(31)24-11(6-13(27)28)16(30)23-10(15(20)29)4-3-5-21-12(19)7-18/h8,10-11,14,25H,3-7H2,1-2H3,(H2,19,21)(H2,20,29)(H,22,26)(H,23,30)(H,24,31)(H,27,28)/t8?,10-,11-,14?/m0/s1
InChIKey	SOZMHIJABUOUSN-RULDPNHRSA-N
Composition	Polymer Sequences: ACE-THR-ASP-FIO-NH2
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	60
Chiral Atom Count	4
Bond Count	59
Aromatic Bond Count	0

Related Resource References

Resource Name	Reference
PubChem	121513865

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.