ethyl 2-[[4-azanyl-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclopropyl-amino]-2-(1-carbamimidoylpiperidin-3-yl)propanoate

Systemtic Name: ethyl 2-[[4-azanyl-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclopropyl-amino]-2-(1-carbamimidoylpiperidin-3-yl)propanoate Openeye Name: ethyl 2-[[4-amino-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-cyclopropyl-amino]-2-(1-carbamimidoyl-3-piperidyl)propanoate CAS Name: 2-[[4-amino-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-cyclopropylamino]-2-(1-carbamimidoyl-3-piperidinyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-amino-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-cyclopropylamino]-2-(1-carbamimidoylpiperidin-3-yl)propanoate Traditional Name: 2-(1-amidino-3-piperidyl)-2-[[4-amino-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-cyclopropyl-amino]propionic acid ethyl ester Formula: C28H38N6O6S MolecularWeight: 586.70292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C1CCCN(C1)C(=N)N)N(C2CC2)C(=O)C(CC(=O)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C(C)(C1CCCN(C1)C(=N)N)N(C2CC2)C(=O)C(CC(=O)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H38N6O6S/c1-3-40-26(37)28(2,20-9-6-14-33(17-20)27(30)31)34(21-11-12-21)25(36)23(16-24(29)35)32-41(38,39)22-13-10-18-7-4-5-8-19(18)15-22/h4-5,7-8,10,13,15,20-21,23,32H,3,6,9,11-12,14,16-17H2,1-2H3,(H2,29,35)(H3,30,31)