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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[[3-oxidanyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]pent-4-ynamide Openeye Name: 2-[[2-(benzylsulfonylamino)-3-hydroxy-propanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]pent-4-ynamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[[3-hydroxy-1-oxo-2-[(phenylmethyl)sulfonylamino]propyl]amino]-4-pentynamide IUPAC Name: 2-[[2-(benzylsulfonylamino)-3-hydroxypropanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]pent-4-ynamide Traditional Name: N-(4-amidinobenzyl)-2-[[2-(benzylsulfonylamino)-3-hydroxy-propanoyl]amino]pent-4-ynamide Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O5S/c1-2-6-19(22(30)26-13-16-9-11-18(12-10-16)21(24)25)27-23(31)20(14-29)28-34(32,33)15-17-7-4-3-5-8-17/h1,3-5,7-12,19-20,28-29H,6,13-15H2,(H3,24,25)(H,26,30)(H,27,31)