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N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AMINO(IMINO)METHYL]BENZYL}-L-ALANINAMIDE


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Chemical Component Summary

NameN-(BENZYLSULFONYL)-D-SERYL-N-{4-[AMINO(IMINO)METHYL]BENZYL}-L-ALANINAMIDE
Identifiers(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R)-3-hydroxy-2-(phenylmethylsulfonylamino)propanoyl]amino]propanamide
FormulaC21 H27 N5 O5 S
Molecular Weight461.535
TypeNON-POLYMER
Isomeric SMILES[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)/N
InChIInChI=1S/C21H27N5O5S/c1-14(20(28)24-11-15-7-9-17(10-8-15)19(22)23)25-21(29)18(12-27)26-32(30,31)13-16-5-3-2-4-6-16/h2-10,14,18,26-27H,11-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t14-,18+/m0/s1
InChIKeyQJNHUFOFEMCMGR-KBXCAEBGSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count2
Bond Count60
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL158405
PubChem 9868922
ChEMBL CHEMBL158405