(phenylmethyl) N-[6-azanylhexanoyl-[3-(2-carbamimidoylphenoxy)propyl]amino]carbamate

Systemtic Name: (phenylmethyl) N-[6-azanylhexanoyl-[3-(2-carbamimidoylphenoxy)propyl]amino]carbamate Openeye Name: benzyl N-[6-aminohexanoyl-[3-(2-carbamimidoylphenoxy)propyl]amino]carbamate CAS Name: N-[(6-amino-1-oxohexyl)-[3-(2-carbamimidoylphenoxy)propyl]amino]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-aminohexanoyl-[3-(2-carbamimidoylphenoxy)propyl]amino]carbamate Traditional Name: N-[3-(2-amidinophenoxy)propyl-(6-aminohexanoyl)amino]carbamic acid benzyl ester Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NN(CCCOC2=CC=CC=C2C(=N)N)C(=O)CCCCCN

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NN(CCCOC2=CC=CC=C2C(=N)N)C(=O)CCCCCN

InChI

InChI=1S/C24H33N5O4/c25-15-8-2-5-14-22(30)29(28-24(31)33-18-19-10-3-1-4-11-19)16-9-17-32-21-13-7-6-12-20(21)23(26)27/h1,3-4,6-7,10-13H,2,5,8-9,14-18,25H2,(H3,26,27)(H,28,31)