PRD_000558
Chymostatin A
PRD_000558 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 1M21.
Chemical Component Summary | |
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Name | Chymostatin A |
Identifiers | (2S)-2-[[(1S)-1-[(4S)-2-azanylidene-1,3-diazinan-4-yl]-2-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-phenyl-propanoic acid |
Formula | C31 H41 N7 O6 |
Molecular Weight | 607.701 |
Type | PEPTIDE-LIKE |
Isomeric SMILES | [H]/N=C/1\NCC[C@H](N1)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C=O)NC(=O)N[C@@H](Cc3ccccc3)C(=O)O |
InChI | InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44) |
InChIKey | MRXDGVXSWIXTQL-UHFFFAOYSA-N |
Composition | Polymer Sequences: PHE-CSI-LEU-PHA |
BIRD class | ENZYME INHIBITOR |
Represented As | POLYMER |
Compound Details | n/a |
Description | n/a |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 85 |
Chiral Atom Count | 5 |
Bond Count | 87 |
Aromatic Bond Count | 12 |
Related Resource References
Resource Name | Reference |
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PubChem | 5287931, 135569744 |