BIRD-PRD_002365: phazolicin

Basic information

• Entry: Database: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_002365
• Status: Status: REF ONLY
• Name: phazolicin

BIRD information

• Type: Peptide-like / Antimicrobial
• Downloads: Molecular definition / Chemical definition

Source

• Rhizobium sp. Pop5 (bacteria), .: .

Chemical information

Composition

Formula: C₇₄H₁₀₄N₂₉O₂₇S₃ / Formula weight: 1927.991

• Others: Type: peptide-like

History

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

Details

SMILES

• CACTVS 3.385: C[CH](O)[CH](N)c1scc(n1)C(=O)N[CH](C)C(=O)N[CH](CCCNC(N)=[NH2+])c2scc(n2)C(=O)N[CH](CC(O)=O)C(=O)N[CH](CO)c3occ(n3)C(=O)N[CH](CO)C(=O)N[CH](CCCNC(N)=[NH2+])c4scc(n4)C(=O)NCC(=O)N[CH](C)c5occ(n5)C(=O)NCC(=O)N[CH](CCCC[NH3+])c6occ(n6)C(=O)N[CH](CO)C(=O)NCc7occ(n7)C(=O)N[CH](C)C(=O)N[CH](CO)C(O)=O
• OpenEye OEToolkits 2.0.7: CC(c1nc(co1)C(=O)NCC(=O)NC(CCCC[NH3+])c2nc(co2)C(=O)NC(CO)C(=O)NCc3nc(co3)C(=O)NC(C)C(=O)NC(CO)C(=O)O)NC(=O)CNC(=O)c4csc(n4)C(CCCNC(=[NH2+])N)NC(=O)C(CO)NC(=O)c5coc(n5)C(CO)NC(=O)C(CC(=O)O)NC(=O)c6csc(n6)C(CCCNC(=[NH2+])N)NC(=O)C(C)NC(=O)c7csc(n7)C(C(C)O)N

SMILES CANONICAL

• CACTVS 3.385: C[C@@H](O)[C@H](N)c1scc(n1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])c2scc(n2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)c3occ(n3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])c4scc(n4)C(=O)NCC(=O)N[C@@H](C)c5occ(n5)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])c6occ(n6)C(=O)N[C@@H](CO)C(=O)NCc7occ(n7)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O
• OpenEye OEToolkits 2.0.7: C[C@@H](c1nc(co1)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])c2nc(co2)C(=O)N[C@@H](CO)C(=O)NCc3nc(co3)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CNC(=O)c4csc(n4)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CO)NC(=O)c5coc(n5)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)c6csc(n6)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](C)NC(=O)c7csc(n7)[C@H]([C@@H](C)O)N

SYSTEMATIC NAME

• OpenEye OEToolkits 2.0.7: [[[(4~{S})-4-[4-[[2-[[(1~{S})-1-[4-[[2-[[(1~{S})-5-azaniumyl-1-[4-[[(2~{S})-1-[[4-[[(2~{S})-1-[[(2~{S})-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]-1,3-oxazol-2-yl]methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]-1,3-oxazol-2-yl]pentyl]amino]-2-oxidanylidene-ethyl]carbamoyl]-1,3-oxazol-2-yl]ethyl]amino]-2-oxidanylidene-ethyl]carbamoyl]-1,3-thiazol-2-yl]-4-[[(2~{S})-2-[[2-[(1~{S})-1-[[(2~{S})-2-[[2-[(1~{S})-4-[[azaniumylidene(azanyl)methyl]amino]-1-[[(2~{S})-2-[[2-[(1~{S},2~{R})-1-azanyl-2-oxidanyl-propyl]-1,3-thiazol-4-yl]carbonylamino]propanoyl]amino]butyl]-1,3-thiazol-4-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-ethyl]-1,3-oxazol-4-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]butyl]amino]-azanyl-methylidene]azanium #

PDB entries

Showing all 1 items

PDB-6u48:
E. coli 50S with phazolicin (PHZ) bound in exit tunnel