N-[4-(aminomethyl)phenyl]-1-(2-azanylpropanoyl)-4-cyclohexyl-2-ethylsulfonyl-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[4-(aminomethyl)phenyl]-1-(2-azanylpropanoyl)-4-cyclohexyl-2-ethylsulfonyl-N-methyl-pyrrolidine-2-carboxamide Openeye Name: N-[4-(aminomethyl)phenyl]-1-(2-aminopropanoyl)-4-cyclohexyl-2-ethylsulfonyl-N-methyl-pyrrolidine-2-carboxamide CAS Name: N-[4-(aminomethyl)phenyl]-1-(2-amino-1-oxopropyl)-4-cyclohexyl-2-ethylsulfonyl-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(aminomethyl)phenyl]-1-(2-aminopropanoyl)-4-cyclohexyl-2-ethylsulfonyl-N-methylpyrrolidine-2-carboxamide Traditional Name: 1-alanyl-N-[4-(aminomethyl)phenyl]-4-cyclohexyl-2-esyl-N-methyl-pyrrolidine-2-carboxamide Formula: C24H38N4O4S MolecularWeight: 478.64792

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1(CC(CN1C(=O)C(C)N)C2CCCCC2)C(=O)N(C)C3=CC=C(C=C3)CN

Isomeric SMILES

CCS(=O)(=O)C1(CC(CN1C(=O)C(C)N)C2CCCCC2)C(=O)N(C)C3=CC=C(C=C3)CN

InChI

InChI=1S/C24H38N4O4S/c1-4-33(31,32)24(23(30)27(3)21-12-10-18(15-25)11-13-21)14-20(19-8-6-5-7-9-19)16-28(24)22(29)17(2)26/h10-13,17,19-20H,4-9,14-16,25-26H2,1-3H3