2-(butylsulfonylamino)-N-[1-[(5-carbamimidoylthiophen-2-yl)methylamino]-1-oxidanylidene-propan-2-yl]-3-oxidanyl-propanamide

Systemtic Name: 2-(butylsulfonylamino)-N-[1-[(5-carbamimidoylthiophen-2-yl)methylamino]-1-oxidanylidene-propan-2-yl]-3-oxidanyl-propanamide Openeye Name: 2-(butylsulfonylamino)-N-[2-[(5-carbamimidoyl-2-thienyl)methylamino]-1-methyl-2-oxo-ethyl]-3-hydroxy-propanamide CAS Name: 2-(butylsulfonylamino)-N-[1-[(5-carbamimidoyl-2-thiophenyl)methylamino]-1-oxopropan-2-yl]-3-hydroxypropanamide IUPAC Name: 2-(butylsulfonylamino)-N-[1-[(5-carbamimidoylthiophen-2-yl)methylamino]-1-oxopropan-2-yl]-3-hydroxypropanamide Traditional Name: N-[2-[(5-amidino-2-thienyl)methylamino]-2-keto-1-methyl-ethyl]-2-(butylsulfonylamino)-3-hydroxy-propionamide Formula: C16H27N5O5S2 MolecularWeight: 433.54608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CO)C(=O)NC(C)C(=O)NCC1=CC=C(S1)C(=N)N

Isomeric SMILES

CCCCS(=O)(=O)NC(CO)C(=O)NC(C)C(=O)NCC1=CC=C(S1)C(=N)N

InChI

InChI=1S/C16H27N5O5S2/c1-3-4-7-28(25,26)21-12(9-22)16(24)20-10(2)15(23)19-8-11-5-6-13(27-11)14(17)18/h5-6,10,12,21-22H,3-4,7-9H2,1-2H3,(H3,17,18)(H,19,23)(H,20,24)