[4-carbamimidoylsulfanyl-1-[[1-[3-phenyl-2-(propanoylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]butyl]boronic acid

Systemtic Name: [4-carbamimidoylsulfanyl-1-[[1-[3-phenyl-2-(propanoylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]butyl]boronic acid Openeye Name: [4-carbamimidoylsulfanyl-1-[[1-[3-phenyl-2-(propanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]butyl]boronic acid CAS Name: [4-(carbamimidoylthio)-1-[[oxo-[1-[1-oxo-2-(1-oxopropylamino)-3-phenylpropyl]-2-pyrrolidinyl]methyl]amino]butyl]boronic acid IUPAC Name: [4-carbamimidoylsulfanyl-1-[[1-[3-phenyl-2-(propanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]butyl]boronic acid Traditional Name: [4-(amidinothio)-1-[[1-(3-phenyl-2-propionamido-propanoyl)prolyl]amino]butyl]boronic acid Formula: C22H34BN5O5S MolecularWeight: 491.41186

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CCCSC(=N)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)CC)(O)O

Isomeric SMILES

B(C(CCCSC(=N)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)CC)(O)O

InChI

InChI=1S/C22H34BN5O5S/c1-2-19(29)26-16(14-15-8-4-3-5-9-15)21(31)28-12-6-10-17(28)20(30)27-18(23(32)33)11-7-13-34-22(24)25/h3-5,8-9,16-18,32-33H,2,6-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)