PRD_000186

EFRAPEPTIN C

PRD_000186 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1EFR.

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Chemical Component Summary
Name	EFRAPEPTIN C
Identifiers	(2S)-N-[1-[(2S)-2-[[1-[[1-[[(2S)-1-[[3-[[2-[[1-[[1-[(2S)-2-[[1-[[2-[[(2S)-1-[[1-[[(2S)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl]-4-methyl-pentan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxidanylidene-propan-2-yl]-1-ethanoyl-piperidine-2-carboxamide
Formula	C₈₀ H₁₃₈ N₁₈ O₁₆
Molecular Weight	1,608.063
Type	PEPTIDE-LIKE
Isomeric SMILES	CC(C)C[C@@H](CN1CCCN2[C@H]1CCC2)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H]3CCCCN3C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H]4CCCCN4C(=O)C(C)(C)NC(=O)[C@@H]5CCCCN5C(=O)C
InChI	InChI=1S/C80H138N18O16/c1-48(2)42-52(47-95-38-29-37-94-36-28-33-61(94)95)84-68(109)75(10,11)88-63(104)54(44-50(5)6)85-59(101)45-83-67(108)74(8,9)89-65(106)56-31-24-27-41-98(56)73(114)80(20,21)93-70(111)77(14,15)87-60(102)46-82-58(100)34-35-81-62(103)53(43-49(3)4)86-69(110)76(12,13)92-71(112)78(16,17)90-66(107)57-32-23-26-40-97(57)72(113)79(18,19)91-64(105)55-30-22-25-39-96(55)51(7)99/h48-50,52-57,61H,22-47H2,1-21H3,(H,81,103)(H,82,100)(H,83,108)(H,84,109)(H,85,101)(H,86,110)(H,87,102)(H,88,104)(H,89,106)(H,90,107)(H,91,105)(H,92,112)(H,93,111)
InChIKey	GTIBOEWQVGCNQF-UHFFFAOYSA-N
Composition	Polymer Sequences: ACE-YCP-AIB-YCP-AIB-AIB-LEU-BAL-GLY-AIB-AIB-YCP-AIB-GLY-LEU-AIB-TLX
BIRD class	ANTIMICROBIAL
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	252
Chiral Atom Count	7
Bond Count	256
Aromatic Bond Count	0

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 R01GM157729.