[4-[6-[[[4-(6-azanylhexylcarbamoyl)phenyl]-oxidanyl-methyl]amino]hexylcarbamoyl]phenyl]carbonyloxyiminoboron

Systemtic Name: [4-[6-[[[4-(6-azanylhexylcarbamoyl)phenyl]-oxidanyl-methyl]amino]hexylcarbamoyl]phenyl]carbonyloxyiminoboron Openeye Name: [4-[6-[[[4-(6-aminohexylcarbamoyl)phenyl]-hydroxy-methyl]amino]hexylcarbamoyl]benzoyl]oxyiminoboron CAS Name: [[4-[[6-[[[4-[(6-aminohexylamino)-oxomethyl]phenyl]-hydroxymethyl]amino]hexylamino]-oxomethyl]phenyl]-oxomethoxy]iminoboron IUPAC Name: [4-[6-[[[4-(6-aminohexylcarbamoyl)phenyl]-hydroxymethyl]amino]hexylcarbamoyl]benzoyl]oxyiminoboron Traditional Name: [4-[6-[[[4-(6-aminohexylcarbamoyl)phenyl]-hydroxy-methyl]amino]hexylcarbamoyl]benzoyl]oximinoboron Formula: C28H39BN5O5 MolecularWeight: 536.45076

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Descriptors Computed from Structure

Canonical SMILES:

[B]=NOC(=O)C1=CC=C(C=C1)C(=O)NCCCCCCNC(C2=CC=C(C=C2)C(=O)NCCCCCCN)O

Isomeric SMILES

[B]=NOC(=O)C1=CC=C(C=C1)C(=O)NCCCCCCNC(C2=CC=C(C=C2)C(=O)NCCCCCCN)O

InChI

InChI=1S/C28H39BN5O5/c29-34-39-28(38)24-15-13-23(14-16-24)27(37)33-20-8-4-3-7-19-32-26(36)22-11-9-21(10-12-22)25(35)31-18-6-2-1-5-17-30/h9-16,26,32,36H,1-8,17-20,30H2,(H,31,35)(H,33,37)