2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-naphthalen-2-ylsulfonyl-amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-naphthalen-2-ylsulfonyl-amino]-N-phenethyl-ethanamide Openeye Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-pyrrolidin-3-yl]-(2-naphthylsulfonyl)amino]-N-phenethyl-acetamide CAS Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-3-pyrrolidinyl]-(2-naphthalenylsulfonyl)amino]-N-phenethylacetamide IUPAC Name: 2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-phenethylacetamide Traditional Name: 2-[[(3S)-1-(3-amidinobenzyl)-2-keto-pyrrolidin-3-yl]-(2-naphthylsulfonyl)amino]-N-phenethyl-acetamide Formula: C32H33N5O4S MolecularWeight: 583.70052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1N(CC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC(=C5)C(=N)N

Isomeric SMILES

C1CN(C(=O)[C@H]1N(CC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C32H33N5O4S/c33-31(34)27-12-6-9-24(19-27)21-36-18-16-29(32(36)39)37(22-30(38)35-17-15-23-7-2-1-3-8-23)42(40,41)28-14-13-25-10-4-5-11-26(25)20-28/h1-14,19-20,29H,15-18,21-22H2,(H3,33,34)(H,35,38)/t29-/m0/s1