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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(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/c1-18(2)13-24(27(37)40-3)32-26(36)23(15-25(35)31-16-19-7-6-12-34(17-19)28(29)30)33-41(38,39)22-11-10-20-8-4-5-9-21(20)14-22/h4-5,8-11,14,18-19,23-24,33H,6-7,12-13,15-17H2,1-3H3,(H3,29,30)(H,31,35)(H,32,36)