2-[[4-azanyl-2-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-butyl-amino]ethylsulfamic acid

Systemtic Name: 2-[[4-azanyl-2-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-butyl-amino]ethylsulfamic acid Openeye Name: 2-[[4-amino-2-[(1-carbamimidoyl-3-piperidyl)methyl]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-butyl-amino]ethylsulfamic acid CAS Name: 2-[[4-amino-2-[(1-carbamimidoyl-3-piperidinyl)methyl]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-butylamino]ethylsulfamic acid IUPAC Name: 2-[[4-amino-2-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-butylamino]ethylsulfamic acid Traditional Name: 2-[[2-[(1-amidino-3-piperidyl)methyl]-4-amino-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-butyl-amino]ethylsulfamic acid Formula: C27H41N7O7S2 MolecularWeight: 639.78714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCNS(=O)(=O)O)C(=O)C(CC1CCCN(C1)C(=N)N)(CC(=O)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCN(CCNS(=O)(=O)O)C(=O)C(CC1CCCN(C1)C(=N)N)(CC(=O)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H41N7O7S2/c1-2-3-13-33(15-12-31-43(39,40)41)25(36)27(18-24(28)35,17-20-7-6-14-34(19-20)26(29)30)32-42(37,38)23-11-10-21-8-4-5-9-22(21)16-23/h4-5,8-11,16,20,31-32H,2-3,6-7,12-15,17-19H2,1H3,(H2,28,35)(H3,29,30)(H,39,40,41)