PRD_000193

Capreomycin IA

PRD_000193 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3KNL.

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Chemical Component Summary
Name	Capreomycin IA
Identifiers	(3S)-N-[[(2S,5S,8Z,11S,15S)-8-[(aminocarbonylamino)methylidene]-15-azanyl-11-[(4R)-2-azanyl-1,4,5,6-tetrahydropyrimidin-4-yl]-2-(hydroxymethyl)-3,6,9,12,16-pentakis(oxidanylidene)-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]-3,6-bis(azanyl)hexanamide
Formula	C₂₅ H₄₄ N₁₄ O₈
Molecular Weight	668.706
Type	PEPTIDE-LIKE
Isomeric SMILES	C1CNC(=N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CNC(=O)C[C@H](CCCN)N)CO)N)N
InChI	InChI=1S/C25H44N14O8/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47)
InChIKey	JNIIDKODPGHQSS-UHFFFAOYSA-N
Composition	Polymer Sequences: KBE-DPP-UAL-MYN-DPP-SER
BIRD class	INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	91
Chiral Atom Count	6
Bond Count	92
Aromatic Bond Count	0

Related Resource References

Resource Name	Reference
PubChem	3032940, 135564597

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.