1-(2-azanyl-3-phenyl-propanoyl)-N-(4-carbamimidoylphenyl)-2-ethylsulfonyl-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanyl-3-phenyl-propanoyl)-N-(4-carbamimidoylphenyl)-2-ethylsulfonyl-N-methyl-pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-3-phenyl-propanoyl)-N-(4-carbamimidoylphenyl)-2-ethylsulfonyl-N-methyl-pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-N-(4-carbamimidoylphenyl)-2-ethylsulfonyl-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-3-phenylpropanoyl)-N-(4-carbamimidoylphenyl)-2-ethylsulfonyl-N-methylpyrrolidine-2-carboxamide Traditional Name: N-(4-amidinophenyl)-2-esyl-N-methyl-1-phenylalanyl-pyrrolidine-2-carboxamide Formula: C24H31N5O4S MolecularWeight: 485.59904

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1(CCCN1C(=O)C(CC2=CC=CC=C2)N)C(=O)N(C)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCS(=O)(=O)C1(CCCN1C(=O)C(CC2=CC=CC=C2)N)C(=O)N(C)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H31N5O4S/c1-3-34(32,33)24(23(31)28(2)19-12-10-18(11-13-19)21(26)27)14-7-15-29(24)22(30)20(25)16-17-8-5-4-6-9-17/h4-6,8-13,20H,3,7,14-16,25H2,1-2H3,(H3,26,27)