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

Systemtic Name: ethyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclohexyl-amino]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C31H44N6O6S MolecularWeight: 628.78266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C31H44N6O6S/c1-2-43-29(39)21-37(25-12-4-3-5-13-25)30(40)27(18-28(38)34-19-22-9-8-16-36(20-22)31(32)33)35-44(41,42)26-15-14-23-10-6-7-11-24(23)17-26/h6-7,10-11,14-15,17,22,25,27,35H,2-5,8-9,12-13,16,18-21H2,1H3,(H3,32,33)(H,34,38)