2-[[5-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-2,5-bis(oxidanylidene)-1-phenyl-pentyl]amino]ethanoate ethanoate

Systemtic Name: 2-[[5-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-2,5-bis(oxidanylidene)-1-phenyl-pentyl]amino]ethanoate ethanoate Openeye Name: 2-[[5-[(1-carbamimidoyl-3-piperidyl)methylamino]-3-(2-naphthylsulfonylamino)-2,5-dioxo-1-phenyl-pentyl]amino]acetate acetate CAS Name: 2-[[5-[(1-carbamimidoyl-3-piperidinyl)methylamino]-3-(2-naphthalenylsulfonylamino)-2,5-dioxo-1-phenylpentyl]amino]acetate acetate IUPAC Name: 2-[[5-[(1-carbamimidoylpiperidin-3-yl)methylamino]-3-(naphthalen-2-ylsulfonylamino)-2,5-dioxo-1-phenylpentyl]amino]acetate acetate Traditional Name: 2-[[5-[(1-amidino-3-piperidyl)methylamino]-2,5-diketo-3-(2-naphthylsulfonylamino)-1-phenyl-pentyl]amino]acetate acetate Formula: C32H38N6O8S-2 MolecularWeight: 666.74452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1CC(CN(C1)C(=N)N)CNC(=O)CC(C(=O)C(C2=CC=CC=C2)NCC(=O)[O-])NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)[O-].C1CC(CN(C1)C(=N)N)CNC(=O)CC(C(=O)C(C2=CC=CC=C2)NCC(=O)[O-])NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H36N6O6S.C2H4O2/c31-30(32)36-14-6-7-20(19-36)17-33-26(37)16-25(29(40)28(34-18-27(38)39)22-9-2-1-3-10-22)35-43(41,42)24-13-12-21-8-4-5-11-23(21)15-24;1-2(3)4/h1-5,8-13,15,20,25,28,34-35H,6-7,14,16-19H2,(H3,31,32)(H,33,37)(H,38,39);1H3,(H,3,4)/p-2