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

Systemtic Name: methyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]amino]-3-methyl-butanoate CAS Name: 2-[[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]amino]-3-methylbutanoate Traditional Name: 2-[[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C27H38N6O6S MolecularWeight: 574.69222

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C27H38N6O6S/c1-17(2)24(26(36)39-3)31-25(35)22(14-23(34)30-15-18-7-6-12-33(16-18)27(28)29)32-40(37,38)21-11-10-19-8-4-5-9-20(19)13-21/h4-5,8-11,13,17-18,22,24,32H,6-7,12,14-16H2,1-3H3,(H3,28,29)(H,30,34)(H,31,35)