N-[(4-carbamimidoylphenyl)methyl]-2-[2-[(phenylmethyl)sulfonylamino]propanoylamino]propanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-[(phenylmethyl)sulfonylamino]propanoylamino]propanamide Openeye Name: 2-[2-(benzylsulfonylamino)propanoylamino]-N-[(4-carbamimidoylphenyl)methyl]propanamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[[1-oxo-2-[(phenylmethyl)sulfonylamino]propyl]amino]propanamide IUPAC Name: 2-[2-(benzylsulfonylamino)propanoylamino]-N-[(4-carbamimidoylphenyl)methyl]propanamide Traditional Name: N-(4-amidinobenzyl)-2-[2-(benzylsulfonylamino)propanoylamino]propionamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(C)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(C)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H27N5O4S/c1-14(20(27)24-12-16-8-10-18(11-9-16)19(22)23)25-21(28)15(2)26-31(29,30)13-17-6-4-3-5-7-17/h3-11,14-15,26H,12-13H2,1-2H3,(H3,22,23)(H,24,27)(H,25,28)