3-azanyl-6-[[N'-[(4-methoxy-2,3,6-trimethyl-phenyl)methyl]carbamimidoyl]amino]-2-oxidanyl-N-phenethyl-hexanamide

Systemtic Name: 3-azanyl-6-[[N'-[(4-methoxy-2,3,6-trimethyl-phenyl)methyl]carbamimidoyl]amino]-2-oxidanyl-N-phenethyl-hexanamide Openeye Name: 3-amino-2-hydroxy-6-[[N'-[(4-methoxy-2,3,6-trimethyl-phenyl)methyl]carbamimidoyl]amino]-N-phenethyl-hexanamide CAS Name: 3-amino-6-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)methylimino]methyl]amino]-2-hydroxy-N-phenethylhexanamide IUPAC Name: 3-amino-2-hydroxy-6-[[N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]carbamimidoyl]amino]-N-phenethylhexanamide Traditional Name: 3-amino-2-hydroxy-6-[[N'-(4-methoxy-2,3,6-trimethyl-benzyl)amidino]amino]-N-phenethyl-hexanamide Formula: C26H39N5O3 MolecularWeight: 469.61956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CN=C(N)NCCCC(C(C(=O)NCCC2=CC=CC=C2)O)N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1CN=C(N)NCCCC(C(C(=O)NCCC2=CC=CC=C2)O)N)C)C)OC

InChI

InChI=1S/C26H39N5O3/c1-17-15-23(34-4)19(3)18(2)21(17)16-31-26(28)30-13-8-11-22(27)24(32)25(33)29-14-12-20-9-6-5-7-10-20/h5-7,9-10,15,22,24,32H,8,11-14,16,27H2,1-4H3,(H,29,33)(H3,28,30,31)