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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)C3CCCCC3CNCC(=O)O

Isomeric SMILES

C1CCC(CC1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)C3CCCCC3CNCC(=O)O

InChI

InChI=1S/C25H37N3O3/c26-25(27)19-12-10-17(11-13-19)14-22(18-6-2-1-3-7-18)24(31)21-9-5-4-8-20(21)15-28-16-23(29)30/h10-13,18,20-22,28H,1-9,14-16H2,(H3,26,27)(H,29,30)