PRD_000553

APSTATIN

PRD_000553 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1N51.

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Chemical Component Summary
Name	APSTATIN
Identifiers	(2S)-N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-1-[(2S)-1-[(2S,3R)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide
Formula	C₂₃ H₃₃ N₅ O₅
Molecular Weight	459.539
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](Cc3ccccc3)N)O
InChI	InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)
InChIKey	YVUUZAPYLPWFHE-UHFFFAOYSA-N
Composition	Polymer Sequences: 01B-PRO-PRO-ALA-NH2
BIRD class	ENZYME INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	66
Chiral Atom Count	5
Bond Count	68
Aromatic Bond Count	6

Related Resource References

Resource Name	Reference
Pharos	CHEMBL311875
PubChem	447280
ChEMBL	CHEMBL311875

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.