2-(butylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-oxidanyl-propanamide

Systemtic Name: 2-(butylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-oxidanyl-propanamide Openeye Name: 2-(butylsulfonylamino)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-hydroxy-propanamide CAS Name: 2-(butylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-3-hydroxypropanamide IUPAC Name: 2-(butylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-3-hydroxypropanamide Traditional Name: N-[2-[(4-amidinobenzyl)amino]-2-keto-1-methyl-ethyl]-2-(butylsulfonylamino)-3-hydroxy-propionamide Formula: C18H29N5O5S MolecularWeight: 427.51836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CO)C(=O)NC(C)C(=O)NCC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CCCCS(=O)(=O)NC(CO)C(=O)NC(C)C(=O)NCC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C18H29N5O5S/c1-3-4-9-29(27,28)23-15(11-24)18(26)22-12(2)17(25)21-10-13-5-7-14(8-6-13)16(19)20/h5-8,12,15,23-24H,3-4,9-11H2,1-2H3,(H3,19,20)(H,21,25)(H,22,26)