S54/PRD_001101
N-(BENZYLSULFONYL)-D-VALYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE
S54/PRD_001101 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 3RM0.
Find entries where PRD_001101 is present
Chemical Component Summary | |
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Name | N-(BENZYLSULFONYL)-D-VALYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE |
Identifiers | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-methyl-2-[(phenylmethyl)sulfonylamino]butanoyl]pyrrolidine-2-carboxamide |
Formula | C25 H33 N5 O4 S |
Molecular Weight | 499.626 |
Type | PEPTIDE-LIKE |
Isomeric SMILES | [H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NS(=O)(=O)Cc3ccccc3)\\N |
InChI | InChI=1S/C25H33N5O4S/c1-17(2)22(29-35(33,34)16-19-7-4-3-5-8-19)25(32)30-14-6-9-21(30)24(31)28-15-18-10-12-20(13-11-18)23(26)27/h3-5,7-8,10-13,17,21-22,29H,6,9,14-16H2,1-2H3,(H3,26,27)(H,28,31)/t21-,22+/m0/s1 |
InChIKey | BTZOUFLORPKMGE-FCHUYYIVSA-N |
Composition | Polymer Sequences: PMS-DVA-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 | 68 |
Chiral Atom Count | 2 |
Bond Count | 70 |
Aromatic Bond Count | 12 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL1809219 |
PubChem | 56673691 |
ChEMBL | CHEMBL1809219 |