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

Systemtic Name: methyl 3-aminocarbonyl-1-carbamimidoyl-4-methyl-2-[2-(naphthalen-2-ylsulfonylamino)propanoyl]-1-(2-oxidanylidene-2-piperidin-3-yloxy-ethyl)piperidin-1-ium-2-carboxylate Openeye Name: methyl 1-carbamimidoyl-3-carbamoyl-4-methyl-2-[2-(2-naphthylsulfonylamino)propanoyl]-1-[2-oxo-2-(3-piperidyloxy)ethyl]piperidin-1-ium-2-carboxylate CAS Name: 1-carbamimidoyl-3-carbamoyl-4-methyl-2-[2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-1-[2-oxo-2-(3-piperidinyloxy)ethyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-carbamimidoyl-3-carbamoyl-4-methyl-2-[2-(naphthalen-2-ylsulfonylamino)propanoyl]-1-(2-oxo-2-piperidin-3-yloxyethyl)piperidin-1-ium-2-carboxylate Traditional Name: 1-amidino-3-carbamoyl-1-[2-keto-2-(3-piperidyloxy)ethyl]-4-methyl-2-[2-(2-naphthylsulfonylamino)propanoyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C30H41N6O8S+ MolecularWeight: 645.74694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](C(C1C(=O)N)(C(=O)C(C)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC)(CC(=O)OC4CCCNC4)C(=N)N

Isomeric SMILES

CC1CC[N+](C(C1C(=O)N)(C(=O)C(C)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC)(CC(=O)OC4CCCNC4)C(=N)N

InChI

InChI=1S/C30H40N6O8S/c1-18-12-14-36(29(32)33,17-24(37)44-22-9-6-13-34-16-22)30(28(40)43-3,25(18)27(31)39)26(38)19(2)35-45(41,42)23-11-10-20-7-4-5-8-21(20)15-23/h4-5,7-8,10-11,15,18-19,22,25,34-35H,6,9,12-14,16-17H2,1-3H3,(H4-,31,32,33,39)/p+1