N-[(2R)-1-[[4-(aminomethyl)cyclohexyl]methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-carbamimidoyl-benzamide

Systemtic Name: N-[(2R)-1-[[4-(aminomethyl)cyclohexyl]methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-carbamimidoyl-benzamide Openeye Name: N-[(1R)-2-[[4-(aminomethyl)cyclohexyl]methylamino]-1-benzyl-2-oxo-ethyl]-3-carbamimidoyl-benzamide CAS Name: N-[(2R)-1-[[4-(aminomethyl)cyclohexyl]methylamino]-1-oxo-3-phenylpropan-2-yl]-3-carbamimidoylbenzamide IUPAC Name: N-[(2R)-1-[[4-(aminomethyl)cyclohexyl]methylamino]-1-oxo-3-phenylpropan-2-yl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[(1R)-2-[[4-(aminomethyl)cyclohexyl]methylamino]-1-benzyl-2-keto-ethyl]benzamide Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1CC(CCC1CN)CNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H33N5O2/c26-15-18-9-11-19(12-10-18)16-29-25(32)22(13-17-5-2-1-3-6-17)30-24(31)21-8-4-7-20(14-21)23(27)28/h1-8,14,18-19,22H,9-13,15-16,26H2,(H3,27,28)(H,29,32)(H,30,31)/t18?,19?,22-/m1/s1