N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-3-oxidanyl-2-[(phenylmethyl)sulfonylamino]propanamide

Systemtic Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-3-oxidanyl-2-[(phenylmethyl)sulfonylamino]propanamide Openeye Name: 2-(benzylsulfonylamino)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-3-hydroxy-propanamide CAS Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-3-hydroxy-2-[(phenylmethyl)sulfonylamino]propanamide IUPAC Name: 2-(benzylsulfonylamino)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-3-hydroxypropanamide Traditional Name: N-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-2-(benzylsulfonylamino)-3-hydroxy-propionamide Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O5S/c21-19(22)16-8-6-14(7-9-16)10-23-18(27)11-24-20(28)17(12-26)25-31(29,30)13-15-4-2-1-3-5-15/h1-9,17,25-26H,10-13H2,(H3,21,22)(H,23,27)(H,24,28)