PRD_000557

Pepstatin

PRD_000557 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3EMY.

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Chemical Component Summary
Name	Pepstatin
Identifiers	(3S,4S)-6-methyl-4-[[(2S)-2-[[(3S,4S)-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]-3-oxidanyl-heptanoyl]amino]propanoyl]amino]-3-oxidanyl-heptanoic acid
Formula	C₃₄ H₆₃ N₅ O₉
Molecular Weight	685.892
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O
InChI	InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22?,23?,24-,25?,26-,30?,31?/m0/s1
InChIKey	FAXGPCHRFPCXOO-ATYBXQRPSA-N
Composition	Polymer Sequences: IVA-VAL-VAL-STA-ALA-STA
BIRD class	ENZYME INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	111
Chiral Atom Count	7
Bond Count	110
Aromatic Bond Count	0

Related Resource References

Resource Name	Reference
Pharos	CHEMBL296588
PubChem	5478883
ChEMBL	CHEMBL296588

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.