methyl 2-aminocarbonyl-1-carbamimidoyl-2-[3-(naphthalen-2-ylsulfonylamino)propanoyl]-4-oxidanylidene-1-(2-oxidanylidene-2-piperidin-3-yloxy-ethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: methyl 2-aminocarbonyl-1-carbamimidoyl-2-[3-(naphthalen-2-ylsulfonylamino)propanoyl]-4-oxidanylidene-1-(2-oxidanylidene-2-piperidin-3-yloxy-ethyl)piperidin-1-ium-3-carboxylate Openeye Name: methyl 1-carbamimidoyl-2-carbamoyl-2-[3-(2-naphthylsulfonylamino)propanoyl]-4-oxo-1-[2-oxo-2-(3-piperidyloxy)ethyl]piperidin-1-ium-3-carboxylate CAS Name: 1-carbamimidoyl-2-carbamoyl-2-[3-(2-naphthalenylsulfonylamino)-1-oxopropyl]-4-oxo-1-[2-oxo-2-(3-piperidinyloxy)ethyl]-3-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-carbamimidoyl-2-carbamoyl-2-[3-(naphthalen-2-ylsulfonylamino)propanoyl]-4-oxo-1-(2-oxo-2-piperidin-3-yloxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: 1-amidino-2-carbamoyl-4-keto-1-[2-keto-2-(3-piperidyloxy)ethyl]-2-[3-(2-naphthylsulfonylamino)propanoyl]piperidin-1-ium-3-carboxylic acid methyl ester Formula: C29H37N6O9S+ MolecularWeight: 645.70388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)CC[N+](C1(C(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N)(CC(=O)OC4CCCNC4)C(=N)N

Isomeric SMILES

COC(=O)C1C(=O)CC[N+](C1(C(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N)(CC(=O)OC4CCCNC4)C(=N)N

InChI

InChI=1S/C29H36N6O9S/c1-43-26(39)25-22(36)11-14-35(28(31)32,17-24(38)44-20-7-4-12-33-16-20)29(25,27(30)40)23(37)10-13-34-45(41,42)21-9-8-18-5-2-3-6-19(18)15-21/h2-3,5-6,8-9,15,20,25,33-34H,4,7,10-14,16-17H2,1H3,(H4-,30,31,32,40)/p+1