3-[4-(aminomethyl)phenyl]-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-cyclohexyl-propanamide

Systemtic Name: 3-[4-(aminomethyl)phenyl]-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-cyclohexyl-propanamide Openeye Name: 3-[4-(aminomethyl)phenyl]-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]-2-cyclohexyl-propanamide CAS Name: 3-[4-(aminomethyl)phenyl]-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-cyclohexylpropanamide IUPAC Name: 3-[4-(aminomethyl)phenyl]-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-cyclohexylpropanamide Traditional Name: N-[2-[(4-amidinobenzyl)amino]-1-cyclohexyl-2-keto-ethyl]-3-[4-(aminomethyl)phenyl]-2-cyclohexyl-propionamide Formula: C32H45N5O2 MolecularWeight: 531.732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC2=CC=C(C=C2)CN)C(=O)NC(C3CCCCC3)C(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCC(CC1)C(CC2=CC=C(C=C2)CN)C(=O)NC(C3CCCCC3)C(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C32H45N5O2/c33-20-23-13-11-22(12-14-23)19-28(25-7-3-1-4-8-25)31(38)37-29(26-9-5-2-6-10-26)32(39)36-21-24-15-17-27(18-16-24)30(34)35/h11-18,25-26,28-29H,1-10,19-21,33H2,(H3,34,35)(H,36,39)(H,37,38)