2-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-naphthalen-2-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-naphthalen-2-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[1-benzyl-2-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-oxo-ethyl]-(2-naphthylsulfonyl)amino]acetic acid CAS Name: 2-[[1-[(1-carbamimidoyl-3-piperidinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-(2-naphthalenylsulfonyl)amino]acetic acid IUPAC Name: 2-[[1-[(1-carbamimidoylpiperidin-3-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-naphthalen-2-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[(1-amidino-3-piperidyl)methylamino]-1-benzyl-2-keto-ethyl]-(2-naphthylsulfonyl)amino]acetic acid Formula: C28H33N5O5S MolecularWeight: 551.65712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CC=CC=C2)N(CC(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CC=CC=C2)N(CC(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H33N5O5S/c29-28(30)32-14-6-9-21(18-32)17-31-27(36)25(15-20-7-2-1-3-8-20)33(19-26(34)35)39(37,38)24-13-12-22-10-4-5-11-23(22)16-24/h1-5,7-8,10-13,16,21,25H,6,9,14-15,17-19H2,(H3,29,30)(H,31,36)(H,34,35)