(phenylmethyl) N-[6-azanyl-1-[3-(3-carbamimidoylphenoxy)propylamino]-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[6-azanyl-1-[3-(3-carbamimidoylphenoxy)propylamino]-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: benzyl N-[5-amino-1-[3-(3-carbamimidoylphenoxy)propylcarbamoyl]pentyl]carbamate CAS Name: N-[6-amino-1-[3-(3-carbamimidoylphenoxy)propylamino]-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-amino-1-[3-(3-carbamimidoylphenoxy)propylamino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[1-[3-(3-amidinophenoxy)propylcarbamoyl]-5-amino-pentyl]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)NC(CCCCN)C(=O)NCCCOC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)NCCCOC2=CC=CC(=C2)C(=N)N

InChI

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