PRD_002239

Peptide Inhibitor BTN-VLTK-AOMK

PRD_002239 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5L20.

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Chemical Component Summary
Name	Peptide Inhibitor BTN-VLTK-AOMK
Identifiers	(2~{S})-2-[[(2~{S})-2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-methyl-butanoyl]amino]-~{N}-[(2~{S},3~{R})-1-[[(3~{S})-7-azanyl-2-oxidanylidene-heptan-3-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-methyl-pentanamide
Formula	C₃₂ H₅₇ N₇ O₇ S
Molecular Weight	683.903
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O
InChI	InChI=1S/C32H57N7O7S/c1-17(2)15-22(29(43)38-27(20(6)41)31(45)34-21(19(5)40)11-9-10-14-33)35-30(44)26(18(3)4)37-25(42)13-8-7-12-24-28-23(16-47-24)36-32(46)39-28/h17-18,20-24,26-28,41H,7-16,33H2,1-6H3,(H,34,45)(H,35,44)(H,37,42)(H,38,43)(H2,36,39,46)/t20-,21+,22+,23?,24?,26+,27+,28?/m1/s1
InChIKey	YDHZUTMXSSCDLV-HUBCPVCKSA-N
Composition	Polymer Sequences: BTN-VAL-LEU-THR-CKC
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	104
Chiral Atom Count	8
Bond Count	105
Aromatic Bond Count	0

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.