PRD_001041
TMC-95A mimic ligand yCP:4e
PRD_001041 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 4JSQ.
Chemical Component Summary | |
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Name | TMC-95A mimic ligand yCP:4e |
Identifiers | 6-azanyl-N-[6-oxidanylidene-6-[[6-oxidanylidene-6-[[6-oxidanylidene-6-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3R)-3-oxidanyl-2-oxidanylidene-1H-indol-3-yl]-1-[(phenylmethyl)amino]propan-2-yl]amino]propan-2-yl]amino]-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]hexyl]amino]hexyl]amino]hexyl]hexanamide |
Formula | C61 H83 N9 O10 |
Molecular Weight | 1,102.366 |
Type | PEPTIDE-LIKE |
Isomeric SMILES | C[C@@H](C(=O)N[C@@H](C[C@]1(c2ccccc2NC1=O)O)C(=O)NCc3ccccc3)NC(=O)[C@H](Cc4ccc(cc4)OCc5ccccc5)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCN |
InChI | InChI=1S/C61H83N9O10/c1-44(57(75)69-52(58(76)66-42-46-22-8-2-9-23-46)41-61(79)49-26-16-17-27-50(49)70-60(61)78)67-59(77)51(40-45-32-34-48(35-33-45)80-43-47-24-10-3-11-25-47)68-56(74)31-15-7-21-39-65-55(73)30-14-6-20-38-64-54(72)29-13-5-19-37-63-53(71)28-12-4-18-36-62/h2-3,8-11,16-17,22-27,32-35,44,51-52,79H,4-7,12-15,18-21,28-31,36-43,62H2,1H3,(H,63,71)(H,64,72)(H,65,73)(H,66,76)(H,67,77)(H,68,74)(H,69,75)(H,70,78)/t44-,51-,52-,61+/m0/s1 |
InChIKey | RPFCHQZJHSNSPO-CBLZAQHOSA-N |
Composition | Polymer Sequences: ACA-ACA-ACA-ACA-TY5-ALA-RE0-ABN |
BIRD class | INHIBITOR |
Represented As | POLYMER |
Compound Details | n/a |
Description | n/a |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 163 |
Chiral Atom Count | 4 |
Bond Count | 167 |
Aromatic Bond Count | 24 |