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

Systemtic Name: methyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoate Openeye Name: methyl 2-[[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]amino]-3-methyl-pentanoate CAS Name: 2-[[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]amino]-3-methylpentanoate Traditional Name: 2-[[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]amino]-3-methyl-valeric acid methyl ester Formula: C28H40N6O6S MolecularWeight: 588.7188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C(CC(=O)NCC1CCCN(C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)C(CC(=O)NCC1CCCN(C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

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