PRD_000759

THIOPEPTIDE THIOSTREPTON WITH EPIMER FORM OF RESIDUE 9

PRD_000759 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2L2Y.

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Chemical Component Summary

NameTHIOPEPTIDE THIOSTREPTON WITH EPIMER FORM OF RESIDUE 9
Identifiersn/a
FormulaC69 H81 N18 O17 S5
Molecular Weight1,594.817
TypePEPTIDE-LIKE
Isomeric SMILESCC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NC(=C)C(=O)N[C@H](C(=O)N[C@]23CCC(=N[C]2c4csc(n4)[C@H]([C@H](OC(=O)c5cc(c6c(n5)[C@H](C(N1)C=C6)O)[C@H](C)O)C)NC(=O)c7csc(n7)[C@@H](NC(=O)[C@@H]8CSC(=N8)/C(=C/C)/NC(=O)[C@@H](NC(=O)c9csc3n9)[C@@H](C)O)[C@@](C)([C@@H](C)O)O)c1nc(cs1)C(=O)NC(=C)C(=O)N)C)C
InChIInChI=1S/C69H82N18O17S5/c1-13-25(3)45-60(100)74-28(6)54(94)72-27(5)53(93)73-29(7)55(95)87-69-18-17-38(63-81-41(21-106-63)56(96)71-26(4)52(70)92)77-50(69)40-20-107-64(79-40)47(32(10)104-66(102)39-19-35(30(8)88)34-15-16-37(75-45)49(91)48(34)76-39)85-57(97)42-23-108-65(82-42)51(68(12,103)33(11)90)86-59(99)43-22-105-62(80-43)36(14-2)78-61(101)46(31(9)89)84-58(98)44-24-109-67(69)83-44/h14-16,19-21,23-25,28-33,37,43,45-47,49-51,75,88-91,103H,4-5,13,17-18,22H2,1-3,6-12H3,(H2,70,92)(H,71,96)(H,72,94)(H,73,93)(H,74,100)(H,78,101)(H,84,98)(H,85,97)(H,86,99)(H,87,95)/b36-14-/t25-,28-,29-,30-,31+,32+,33+,37+,43-,45-,46-,47-,49-,50+,51+,68+,69+/m0/s1
InChIKeyXORNKFRBKXGWND-SPODNLGNSA-N
CompositionPolymer Sequences: QUA-ILE-ALA-DHA-ALA-SER-BB9-THR-DBU-CYS-TS9-BB9-THR-BB9-MH6-BB9-DHA-NH2
BIRD classANTIBIOTIC
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count190
Chiral Atom Count15
Bond Count199
Aromatic Bond Count6