PRD_000922

PL-42

PRD_000922 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4HY2.

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Chemical Component Summary
Name	PL-42
Identifiers	[(2R,3S)-4-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-imidazol-3-ium-4-yl)-2-[[(2S)-4-methyl-2-[[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butan-2-yl] dihydrogen phosphate
Formula	C₃₉ H₆₃ N₉ O₁₄ P S
Molecular Weight	945.008
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2Cc3cc(c(c(c3)OC)OC)OC)OP(=O)(O)O
InChI	InChI=1S/C39H62N9O14PS/c1-21(2)13-26(45-38(54)29-9-8-11-48(29)18-23-14-30(59-4)33(61-6)31(15-23)60-5)35(51)44-27(16-24-17-41-20-42-24)36(52)46-28(19-49)37(53)47-32(22(3)62-63(56,57)58)39(55)43-25(34(40)50)10-12-64-7/h14-15,17,20-22,25-29,32,49H,8-13,16,18-19H2,1-7H3,(H2,40,50)(H,41,42)(H,43,55)(H,44,51)(H,45,54)(H,46,52)(H,47,53)(H2,56,57,58)/p+1/t22-,25+,26+,27+,28+,29-,32?/m1/s1
InChIKey	HWADYJFZMKXBPP-SNOGDQHTSA-O
Composition	Polymer Sequences: 1C3-LEU-HIS-SER-TPO-MET-NH2
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	127
Chiral Atom Count	7
Bond Count	129
Aromatic Bond Count	11

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.