methyl 2-[(1-carbamimidoylpiperidin-3-yl)-methyl-carbamoyl]-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 2-[(1-carbamimidoylpiperidin-3-yl)-methyl-carbamoyl]-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 2-[(1-carbamimidoyl-3-piperidyl)-methyl-carbamoyl]-1-[3-(2-naphthylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate CAS Name: 2-[[(1-carbamimidoyl-3-piperidinyl)-methylamino]-oxomethyl]-1-[3-(2-naphthalenylsulfonylamino)-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-carbamimidoylpiperidin-3-yl)-methylcarbamoyl]-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate Traditional Name: 2-[(1-amidino-3-piperidyl)-methyl-carbamoyl]-1-[3-(2-naphthylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C27H36N6O6S MolecularWeight: 572.67634

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)C(=N)N)C(=O)C2(CCCN2C(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OC

Isomeric SMILES

CN(C1CCCN(C1)C(=N)N)C(=O)C2(CCCN2C(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OC

InChI

InChI=1S/C27H36N6O6S/c1-31(21-9-5-15-32(18-21)26(28)29)24(35)27(25(36)39-2)13-6-16-33(27)23(34)12-14-30-40(37,38)22-11-10-19-7-3-4-8-20(19)17-22/h3-4,7-8,10-11,17,21,30H,5-6,9,12-16,18H2,1-2H3,(H3,28,29)