PRD_000571

FR901451

PRD_000571 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2CV3.

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Chemical Component Summary
Name	FR901451
Identifiers	n/a
Formula	C₆₀ H₈₀ N₁₃ O₁₈
Molecular Weight	1,271.353
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H]2CCCC[NH2+]C(=O)C[C@H](NC(=O)[C@@H]3CC(=O)OC[C@@H](C(=O)N[C@@H](CC(=O)O1)C(=O)N[C@H](C(=O)N3)Cc4c[nH]c5c4cccc5)NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC2=O)Cc7ccccc7)C(=O)O)CC(C)C)NC(=O)[C@H]([C@@H](C)O)N
InChI	InChI=1S/C60H79N13O18/c1-29(2)21-37-51(79)64-36-17-10-11-19-62-45(75)24-42(60(88)89)70-54(82)39-25-46(76)90-28-43(71-56(84)44-18-12-20-73(44)59(87)41(69-50(36)78)22-32-13-6-5-7-14-32)55(83)67-40(26-47(77)91-31(4)49(58(86)68-37)72-57(85)48(61)30(3)74)53(81)65-38(52(80)66-39)23-33-27-63-35-16-9-8-15-34(33)35/h5-9,13-16,27,29-31,36-44,48-49,63,74H,10-12,17-26,28,61H2,1-4H3,(H,62,75)(H,64,79)(H,65,81)(H,66,80)(H,67,83)(H,68,86)(H,69,78)(H,70,82)(H,71,84)(H,72,85)(H,88,89)/p+1/t30?,31?,36?,37?,38-,39-,40?,41?,42-,43?,44+,48?,49?/m0/s1
InChIKey	IGCVJULNJMQDMD-WKMATYEGSA-O
Composition	Polymer Sequences: THR-THR-LEU-LYS-PHE-PRO-SER-ASP-TRP-ASP-ASP
BIRD class	ANTIINFLAMMATORY
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	171
Chiral Atom Count	13
Bond Count	177
Aromatic Bond Count	16

Related Resource References

Resource Name	Reference
PubChem	6857715

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.