N-[(4-carbamimidoylphenyl)methyl]-3-oxidanyl-2-[[3-oxidanyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]propanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-3-oxidanyl-2-[[3-oxidanyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]propanamide Openeye Name: 2-[[2-(benzylsulfonylamino)-3-hydroxy-propanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-3-hydroxy-propanamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-3-hydroxy-2-[[3-hydroxy-1-oxo-2-[(phenylmethyl)sulfonylamino]propyl]amino]propanamide IUPAC Name: 2-[[2-(benzylsulfonylamino)-3-hydroxypropanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-3-hydroxypropanamide Traditional Name: N-(4-amidinobenzyl)-2-[[2-(benzylsulfonylamino)-3-hydroxy-propanoyl]amino]-3-hydroxy-propionamide Formula: C21H27N5O6S MolecularWeight: 477.53398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC(CO)C(=O)NC(CO)C(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC(CO)C(=O)NC(CO)C(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H27N5O6S/c22-19(23)16-8-6-14(7-9-16)10-24-20(29)17(11-27)25-21(30)18(12-28)26-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,26-28H,10-13H2,(H3,22,23)(H,24,29)(H,25,30)