2-(naphthalen-2-ylsulfonylamino)-N-[1-oxidanylidene-3-[4-(N'-propylcarbamimidoyl)phenyl]-1-pyrrolidin-1-yl-propan-2-yl]-3-phenyl-propanamide

Systemtic Name: 2-(naphthalen-2-ylsulfonylamino)-N-[1-oxidanylidene-3-[4-(N'-propylcarbamimidoyl)phenyl]-1-pyrrolidin-1-yl-propan-2-yl]-3-phenyl-propanamide Openeye Name: 2-(2-naphthylsulfonylamino)-N-[2-oxo-1-[[4-(N'-propylcarbamimidoyl)phenyl]methyl]-2-pyrrolidin-1-yl-ethyl]-3-phenyl-propanamide CAS Name: N-[3-[4-[amino(propylimino)methyl]phenyl]-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-2-(2-naphthalenylsulfonylamino)-3-phenylpropanamide IUPAC Name: 2-(naphthalen-2-ylsulfonylamino)-N-[1-oxo-3-[4-(N'-propylcarbamimidoyl)phenyl]-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide Traditional Name: N-[2-keto-1-[4-(N'-propylamidino)benzyl]-2-pyrrolidino-ethyl]-2-(2-naphthylsulfonylamino)-3-phenyl-propionamide Formula: C36H41N5O4S MolecularWeight: 639.80684

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(C1=CC=C(C=C1)CC(C(=O)N2CCCC2)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)N

Isomeric SMILES

CCCN=C(C1=CC=C(C=C1)CC(C(=O)N2CCCC2)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)N

InChI

InChI=1S/C36H41N5O4S/c1-2-20-38-34(37)29-16-14-27(15-17-29)24-33(36(43)41-21-8-9-22-41)39-35(42)32(23-26-10-4-3-5-11-26)40-46(44,45)31-19-18-28-12-6-7-13-30(28)25-31/h3-7,10-19,25,32-33,40H,2,8-9,20-24H2,1H3,(H2,37,38)(H,39,42)