BIRD-PRD_002272: Capreomycin 1B

Basic information

• Entry: Database: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_002272
• Status: Status: REF ONLY
• Name: Capreomycin 1B

BIRD information

• Type: Cyclic peptide / Inhibitor
• Downloads: Molecular definition / Chemical definition

Source

• Streptomyces puniceus (bacteria), .: .

Chemical information

Composition

Formula: C₂₅H₄₄N₁₄O₇ / Formula weight: 652.706

• Others: Type: peptide-like

History

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• ACDLabs 12.01: C(=O)(CC(N)CCCN)NCC1NC(C(NC(C(N)CNC(C(NC(=O)/C(NC1=O)=C/NC(=O)N)C2N=C(NCC2)N)=O)=O)C)=O
• CACTVS 3.385: C[CH]1NC(=O)[CH](N)CNC(=O)[CH](NC(=O)C(NC(=O)[CH](CNC(=O)C[CH](N)CCCN)NC1=O)=CNC(N)=O)[CH]2CCNC(=N2)N
• OpenEye OEToolkits 2.0.6: CC1C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)NC(C(=O)NCC(C(=O)N1)N)C2CCNC(=N2)N)CNC(=O)CC(CCCN)N

SMILES CANONICAL

• CACTVS 3.385: C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC1=O)=C\NC(N)=O)[C@H]2CCNC(=N2)N
• OpenEye OEToolkits 2.0.6: C[C@H]1C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)NC(C(=O)NC[C@@H](C(=O)N1)N)[C@H]2CCNC(=N2)N)CNC(=O)C[C@H](CCCN)N

SYSTEMATIC NAME

• ACDLabs 12.01: (3R)-3,6-diamino-N-({(2R,5R,8Z,11S,15S)-15-amino-11-[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]-8-[(carbamoylamino)methylidene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl}methyl)hexanamide
• OpenEye OEToolkits 2.0.6: (3~{S})-~{N}-[[(2~{S},5~{S},8~{Z},15~{S})-8-[(aminocarbonylamino)methylidene]-15-azanyl-11-[(4~{R})-2-azanyl-1,4,5,6-tetrahydropyrimidin-4-yl]-2-methyl-3,6,9,12,16-pentakis(oxidanylidene)-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]-3,6-bis(azanyl)hexanamide

PDB entries

Showing all 3 items

PDB-5v93:
Cryo-EM structure of the 70S ribosome from Mycobacterium tuberculosis bound with Capreomycin

PDB-7f0f:
Crystal structure of capreomycin phosphotransferase in complex with CMN IIB

PDB-8i84:
Crystal structure of Cph001-D189N in complex with CMN IIB