2-[1-(2-azanyl-3-phenyl-propanoyl)-3-butylsulfonyl-2-carboxy-pyrrolidin-2-yl]ethanoate; 4-carbamimidoylbenzamide

Systemtic Name: 2-[1-(2-azanyl-3-phenyl-propanoyl)-3-butylsulfonyl-2-carboxy-pyrrolidin-2-yl]ethanoate; 4-carbamimidoylbenzamide Openeye Name: 2-[1-(2-amino-3-phenyl-propanoyl)-3-butylsulfonyl-2-carboxy-pyrrolidin-2-yl]acetate; 4-carbamimidoylbenzamide CAS Name: 2-[1-(2-amino-1-oxo-3-phenylpropyl)-3-butylsulfonyl-2-carboxy-2-pyrrolidinyl]acetate; 4-carbamimidoylbenzamide IUPAC Name: 2-[1-(2-amino-3-phenylpropanoyl)-3-butylsulfonyl-2-carboxypyrrolidin-2-yl]acetate; 4-carbamimidoylbenzamide Traditional Name: 4-amidinobenzamide; 2-(3-butylsulfonyl-2-carboxy-1-phenylalanyl-pyrrolidin-2-yl)acetate Formula: C28H36N5O8S- MolecularWeight: 602.67914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1CCN(C1(CC(=O)[O-])C(=O)O)C(=O)C(CC2=CC=CC=C2)N.C1=CC(=CC=C1C(=N)N)C(=O)N

Isomeric SMILES

CCCCS(=O)(=O)C1CCN(C1(CC(=O)[O-])C(=O)O)C(=O)C(CC2=CC=CC=C2)N.C1=CC(=CC=C1C(=N)N)C(=O)N

InChI

InChI=1S/C20H28N2O7S.C8H9N3O/c1-2-3-11-30(28,29)16-9-10-22(20(16,19(26)27)13-17(23)24)18(25)15(21)12-14-7-5-4-6-8-14;9-7(10)5-1-3-6(4-2-5)8(11)12/h4-8,15-16H,2-3,9-13,21H2,1H3,(H,23,24)(H,26,27);1-4H,(H3,9,10)(H2,11,12)/p-1