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

Systemtic Name: ethyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-propan-2-yl-amino]ethanoate Openeye Name: ethyl 2-[[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-isopropyl-amino]acetate CAS Name: 2-[[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-propan-2-ylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-propan-2-ylamino]acetate Traditional Name: 2-[[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-isopropyl-amino]acetic acid ethyl ester Formula: C28H40N6O6S MolecularWeight: 588.7188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C(C)C)C(=O)C(CC(=O)NCC1CCCN(C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)CN(C(C)C)C(=O)C(CC(=O)NCC1CCCN(C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C28H40N6O6S/c1-4-40-26(36)18-34(19(2)3)27(37)24(15-25(35)31-16-20-8-7-13-33(17-20)28(29)30)32-41(38,39)23-12-11-21-9-5-6-10-22(21)14-23/h5-6,9-12,14,19-20,24,32H,4,7-8,13,15-18H2,1-3H3,(H3,29,30)(H,31,35)