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

Systemtic Name: ethyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H42N6O6S MolecularWeight: 602.74538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N6O6S/c1-4-41-28(38)25(14-19(2)3)33-27(37)24(16-26(36)32-17-20-8-7-13-35(18-20)29(30)31)34-42(39,40)23-12-11-21-9-5-6-10-22(21)15-23/h5-6,9-12,15,19-20,24-25,34H,4,7-8,13-14,16-18H2,1-3H3,(H3,30,31)(H,32,36)(H,33,37)