5-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-3-cyclohexylidene-5-oxidanylidene-pentanoic acid; methanesulfonic acid

Systemtic Name: 5-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-3-cyclohexylidene-5-oxidanylidene-pentanoic acid; methanesulfonic acid Openeye Name: 5-[[5-[(6-carbamimidoyl-2-naphthyl)oxycarbonyl]-2-furyl]methylamino]-3-cyclohexylidene-5-oxo-pentanoic acid; methanesulfonic acid CAS Name: 5-[[5-[(6-carbamimidoyl-2-naphthalenyl)oxy-oxomethyl]-2-furanyl]methylamino]-3-cyclohexylidene-5-oxopentanoic acid; methanesulfonic acid IUPAC Name: 5-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-3-cyclohexylidene-5-oxopentanoic acid; methanesulfonic acid Traditional Name: 5-[[5-(6-amidino-2-naphthoxy)carbonyl-2-furyl]methylamino]-3-cyclohexylidene-5-keto-valeric acid; mesylic acid Formula: C29H33N3O9S MolecularWeight: 599.65202

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CCC(=C(CC(=O)NCC2=CC=C(O2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)CC(=O)O)CC1

Isomeric SMILES

CS(=O)(=O)O.C1CCC(=C(CC(=O)NCC2=CC=C(O2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)CC(=O)O)CC1

InChI

InChI=1S/C28H29N3O6.CH4O3S/c29-27(30)20-7-6-19-13-22(9-8-18(19)12-20)37-28(35)24-11-10-23(36-24)16-31-25(32)14-21(15-26(33)34)17-4-2-1-3-5-17;1-5(2,3)4/h6-13H,1-5,14-16H2,(H3,29,30)(H,31,32)(H,33,34);1H3,(H,2,3,4)