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

Systemtic Name: ethyl 3-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclopropyl-amino]propanoate Openeye Name: ethyl 3-[[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-cyclopropyl-amino]propanoate CAS Name: 3-[[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-cyclopropylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-cyclopropylamino]propanoate Traditional Name: 3-[[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-cyclopropyl-amino]propionic acid ethyl ester Formula: C29H40N6O6S MolecularWeight: 600.7295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1CC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)CCN(C1CC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H40N6O6S/c1-2-41-27(37)13-15-35(23-10-11-23)28(38)25(17-26(36)32-18-20-6-5-14-34(19-20)29(30)31)33-42(39,40)24-12-9-21-7-3-4-8-22(21)16-24/h3-4,7-9,12,16,20,23,25,33H,2,5-6,10-11,13-15,17-19H2,1H3,(H3,30,31)(H,32,36)