PRD_002383

des4.3.1

PRD_002383 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 6WSJ.

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Chemical Component Summary
Name	des4.3.1
Identifiers	[[3-[(2~{R},5~{S},8~{S},11~{R},14~{S},17~{R},20~{R},23~{S})-14-(4-azaniumylbutyl)-11-butyl-20-(hydroxymethyl)-23-(2-hydroxy-2-oxoethyl)-17-methyl-3,6,9,12,15,18,21,24-octakis(oxidanylidene)-8-(phenylmethyl)-5-(5-sulfanylpentyl)-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]propylamino]-azanyl-methylidene]azanium
Formula	C₄₄ H₇₄ N₁₂ O₁₁ S
Molecular Weight	979.197
Type	PEPTIDE-LIKE
Isomeric SMILES	CCCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc2ccccc2)CCCCCS)CCCNC(=[NH2+])N)CC(=O)O)CO)C)CCCC[NH3+]
InChI	InChI=1S/C44H72N12O11S/c1-3-4-16-28-38(62)50-29(18-10-11-20-45)37(61)49-26(2)36(60)56-34(25-57)43(67)55-33(24-35(58)59)42(66)53-31(19-13-21-48-44(46)47)39(63)51-30(17-9-6-12-22-68)40(64)54-32(41(65)52-28)23-27-14-7-5-8-15-27/h5,7-8,14-15,26,28-34,57,68H,3-4,6,9-13,16-25,45H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,65)(H,53,66)(H,54,64)(H,55,67)(H,56,60)(H,58,59)(H4,46,47,48)/p+2/t26-,28-,29+,30+,31-,32+,33+,34-/m1/s1
InChIKey	CSDTVUDDUQZJDB-PQKHAHNUSA-P
Composition	Polymer Sequences: DAL-DSN-ASP-DAR-U2M-PHE-DNE-LYS
BIRD class	ENZYME INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	142
Chiral Atom Count	8
Bond Count	143
Aromatic Bond Count	6

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 R01GM157729.