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

Systemtic Name: [butyl-[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]amino] butanoate Openeye Name: [butyl-[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]amino] butanoate CAS Name: butanoic acid [butyl-[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]amino] ester IUPAC Name: [butyl-[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]amino] butanoate Traditional Name: butyric acid [[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-butyl-amino] ester Formula: C29H42N6O6S MolecularWeight: 602.74538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N6O6S/c1-3-5-16-35(41-27(37)9-4-2)28(38)25(18-26(36)32-19-21-10-8-15-34(20-21)29(30)31)33-42(39,40)24-14-13-22-11-6-7-12-23(22)17-24/h6-7,11-14,17,21,25,33H,3-5,8-10,15-16,18-20H2,1-2H3,(H3,30,31)(H,32,36)