33U/PRD_000601
beta-phenyl-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
33U/PRD_000601 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 2ZO3.
Find entries where PRD_000601 is present
Chemical Component Summary | |
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Name | beta-phenyl-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide |
Identifiers | (2S)-1-[(2R)-2-azanyl-3,3-diphenyl-propanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide |
Formula | C28 H31 N5 O2 |
Molecular Weight | 469.578 |
Type | PEPTIDE-LIKE |
Isomeric SMILES | [H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(c3ccccc3)c4ccccc4)N)\N |
InChI | InChI=1S/C28H31N5O2/c29-25(24(20-8-3-1-4-9-20)21-10-5-2-6-11-21)28(35)33-17-7-12-23(33)27(34)32-18-19-13-15-22(16-14-19)26(30)31/h1-6,8-11,13-16,23-25H,7,12,17-18,29H2,(H3,30,31)(H,32,34)/t23-,25+/m0/s1 |
InChIKey | ODAPDZPYLPTJOD-UKILVPOCSA-N |
Composition | Polymer Sequences: 00O-PRO-00S |
BIRD class | THROMBIN INHIBITOR |
Represented As | SINGLE MOLECULE |
Compound Details | n/a |
Description | n/a |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 66 |
Chiral Atom Count | 2 |
Bond Count | 69 |
Aromatic Bond Count | 18 |
Related Resource References
Resource Name | Reference |
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PubChem | 10116069 |
ChEMBL | CHEMBL1200085 |