methyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclohexyl-amino]ethanoate

Systemtic Name: methyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclohexyl-amino]ethanoate Openeye Name: methyl 2-[[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-cyclohexyl-amino]acetate CAS Name: 2-[[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-cyclohexylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-cyclohexylamino]acetate Traditional Name: 2-[[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-cyclohexyl-amino]acetic acid methyl ester Formula: C30H42N6O6S MolecularWeight: 614.75608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(C1CCCCC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)CN(C1CCCCC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H42N6O6S/c1-42-28(38)20-36(24-11-3-2-4-12-24)29(39)26(17-27(37)33-18-21-8-7-15-35(19-21)30(31)32)34-43(40,41)25-14-13-22-9-5-6-10-23(22)16-25/h5-6,9-10,13-14,16,21,24,26,34H,2-4,7-8,11-12,15,17-20H2,1H3,(H3,31,32)(H,33,37)