PRD_002111

ADEP-2B5Me

PRD_002111 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4U0G.

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Chemical Component Summary
Name	ADEP-2B5Me
Identifiers	n/a
Formula	C₄₁ H₅₆ F₂ N₆ O₈
Molecular Weight	798.916
Type	PEPTIDE-LIKE
Isomeric SMILES	CC[C@H](C)C/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2[C@H](OC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CCN4C(=O)[C@@H]5CCCN5C2=O)C)C)C
InChI	InChI=1S/C41H56F2N6O8/c1-6-23(2)10-7-13-34(50)45-30(21-27-19-28(42)22-29(43)20-27)36(51)46-35-26(5)57-41(56)32-12-9-16-48(32)38(53)25(4)44-37(52)33-18-24(3)14-17-49(33)39(54)31-11-8-15-47(31)40(35)55/h7,13,19-20,22-26,30-33,35H,6,8-12,14-18,21H2,1-5H3,(H,44,52)(H,45,50)(H,46,51)/b13-7+/t23-,24-,25-,26+,30-,31-,32-,33-,35-/m0/s1
InChIKey	SPOKWDHEEUSSPB-WIJQLKAGSA-N
Composition	Polymer Sequences: 39Y-WFP-THR-PRO-3A0-ALA-PRO
BIRD class	ANTIBIOTIC
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	113
Chiral Atom Count	9
Bond Count	117
Aromatic Bond Count	6

Related Resource References

Resource Name	Reference
PubChem	78350464

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.