N-(1-carbamimidoyl-2-oxidanyl-piperidin-3-yl)-2-[[3-oxidanyl-2-(phenethylsulfonylamino)propanoyl]amino]pent-4-ynamide

Systemtic Name: N-(1-carbamimidoyl-2-oxidanyl-piperidin-3-yl)-2-[[3-oxidanyl-2-(phenethylsulfonylamino)propanoyl]amino]pent-4-ynamide Openeye Name: N-(1-carbamimidoyl-2-hydroxy-3-piperidyl)-2-[[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]amino]pent-4-ynamide CAS Name: N-(1-carbamimidoyl-2-hydroxy-3-piperidinyl)-2-[[3-hydroxy-1-oxo-2-(phenethylsulfonylamino)propyl]amino]-4-pentynamide IUPAC Name: N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-2-[[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]amino]pent-4-ynamide Traditional Name: N-(1-amidino-2-hydroxy-3-piperidyl)-2-[[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]amino]pent-4-ynamide Formula: C22H32N6O6S MolecularWeight: 508.59108

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C(=O)NC1CCCN(C1O)C(=N)N)NC(=O)C(CO)NS(=O)(=O)CCC2=CC=CC=C2

Isomeric SMILES

C#CCC(C(=O)NC1CCCN(C1O)C(=N)N)NC(=O)C(CO)NS(=O)(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H32N6O6S/c1-2-7-16(19(30)26-17-10-6-12-28(21(17)32)22(23)24)25-20(31)18(14-29)27-35(33,34)13-11-15-8-4-3-5-9-15/h1,3-5,8-9,16-18,21,27,29,32H,6-7,10-14H2,(H3,23,24)(H,25,31)(H,26,30)