5IN

N-(BENZYLSULFONYL)-L-SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-O-BENZYL-L-SERINAMIDE


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Chemical Component Summary

NameN-(BENZYLSULFONYL)-L-SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-O-BENZYL-L-SERINAMIDE
Identifiers(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R)-3-hydroxy-2-(phenylmethylsulfonylamino)propanoyl]amino]-3-phenylmethoxy-propanamide
FormulaC28 H33 N5 O6 S
Molecular Weight567.657
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)COC[C@@H](C(=O)NCc2ccc(cc2)C(=N)N)NC(=O)[C@@H](CO)NS(=O)(=O)Cc3ccccc3
InChIInChI=1S/C28H33N5O6S/c29-26(30)23-13-11-20(12-14-23)15-31-27(35)25(18-39-17-21-7-3-1-4-8-21)32-28(36)24(16-34)33-40(37,38)19-22-9-5-2-6-10-22/h1-14,24-25,33-34H,15-19H2,(H3,29,30)(H,31,35)(H,32,36)/t24-,25+/m1/s1
InChIKeyRLZYVXBJYQEXBP-RPBOFIJWSA-N

Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count2
Bond Count75
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 449050
ChEMBL CHEMBL1230416