S29/PRD_001100

N-(BENZYLSULFONYL)-D-ALANYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE

S29/PRD_001100 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3RLY.

Find entries where PRD_001100 is present


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Chemical Component Summary

NameN-(BENZYLSULFONYL)-D-ALANYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE
Identifiers(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide
FormulaC23 H29 N5 O4 S
Molecular Weight471.572
TypePEPTIDE-LIKE
Isomeric SMILES[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)Cc3ccccc3)\\N
InChIInChI=1S/C23H29N5O4S/c1-16(27-33(31,32)15-18-6-3-2-4-7-18)23(30)28-13-5-8-20(28)22(29)26-14-17-9-11-19(12-10-17)21(24)25/h2-4,6-7,9-12,16,20,27H,5,8,13-15H2,1H3,(H3,24,25)(H,26,29)/t16-,20+/m1/s1
InChIKeyRXILOHGFTAPEST-UZLBHIALSA-N
CompositionPolymer Sequences: PMS-DAL-PRO-00S
BIRD classTHROMBIN INHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count2
Bond Count64
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL2152431
PubChem 56947157
ChEMBL CHEMBL2152431