(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclohexylethanoyl)pyrrolidine-2-carboxamide hydrochloride

Systemtic Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclohexylethanoyl)pyrrolidine-2-carboxamide hydrochloride Openeye Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclohexylacetyl)pyrrolidine-2-carboxamide hydrochloride CAS Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclohexyl-1-oxoethyl)-2-pyrrolidinecarboxamide hydrochloride IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclohexylacetyl)pyrrolidine-2-carboxamide hydrochloride Traditional Name: (2S)-N-(4-amidinobenzyl)-1-(2-cyclohexylacetyl)pyrrolidine-2-carboxamide hydrochloride Formula: C21H31ClN4O2 MolecularWeight: 406.94944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

C1CCC(CC1)CC(=O)N2CCC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H30N4O2.ClH/c22-20(23)17-10-8-16(9-11-17)14-24-21(27)18-7-4-12-25(18)19(26)13-15-5-2-1-3-6-15;/h8-11,15,18H,1-7,12-14H2,(H3,22,23)(H,24,27);1H/t18-;/m0./s1