2-[[3-(4-carbamimidoylphenyl)-2-cyclohexyl-propanoyl]-(cyclohexylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[3-(4-carbamimidoylphenyl)-2-cyclohexyl-propanoyl]-(cyclohexylmethyl)amino]ethanoic acid Openeye Name: 2-[[3-(4-carbamimidoylphenyl)-2-cyclohexyl-propanoyl]-(cyclohexylmethyl)amino]acetic acid CAS Name: 2-[[3-(4-carbamimidoylphenyl)-2-cyclohexyl-1-oxopropyl]-(cyclohexylmethyl)amino]acetic acid IUPAC Name: 2-[[3-(4-carbamimidoylphenyl)-2-cyclohexylpropanoyl]-(cyclohexylmethyl)amino]acetic acid Traditional Name: 2-[[3-(4-amidinophenyl)-2-cyclohexyl-propanoyl]-(cyclohexylmethyl)amino]acetic acid Formula: C25H37N3O3 MolecularWeight: 427.57958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O3/c26-24(27)21-13-11-18(12-14-21)15-22(20-9-5-2-6-10-20)25(31)28(17-23(29)30)16-19-7-3-1-4-8-19/h11-14,19-20,22H,1-10,15-17H2,(H3,26,27)(H,29,30)