2-[[2-[(4-carbamimidoylphenyl)methyl]-3-(dimethylamino)-3-oxidanylidene-propanoyl]amino]-2-cyclohexyl-ethanoic acid

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-(dimethylamino)-3-oxidanylidene-propanoyl]amino]-2-cyclohexyl-ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-(dimethylamino)-3-oxo-propanoyl]amino]-2-cyclohexyl-acetic acid CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-(dimethylamino)-1,3-dioxopropyl]amino]-2-cyclohexylacetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-3-(dimethylamino)-3-oxopropanoyl]amino]-2-cyclohexylacetic acid Traditional Name: 2-[[2-(4-amidinobenzyl)-3-(dimethylamino)-3-keto-propanoyl]amino]-2-cyclohexyl-acetic acid Formula: C21H30N4O4 MolecularWeight: 402.4873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CC1=CC=C(C=C1)C(=N)N)C(=O)NC(C2CCCCC2)C(=O)O

Isomeric SMILES

CN(C)C(=O)C(CC1=CC=C(C=C1)C(=N)N)C(=O)NC(C2CCCCC2)C(=O)O

InChI

InChI=1S/C21H30N4O4/c1-25(2)20(27)16(12-13-8-10-15(11-9-13)18(22)23)19(26)24-17(21(28)29)14-6-4-3-5-7-14/h8-11,14,16-17H,3-7,12H2,1-2H3,(H3,22,23)(H,24,26)(H,28,29)