1-[5-[bis(azanyl)methylideneamino]-2-(dibenzofuran-2-ylsulfonylamino)pentanoyl]-4-methyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[5-[bis(azanyl)methylideneamino]-2-(dibenzofuran-2-ylsulfonylamino)pentanoyl]-4-methyl-piperidine-2-carboxylic acid Openeye Name: 1-[2-(dibenzofuran-2-ylsulfonylamino)-5-guanidino-pentanoyl]-4-methyl-piperidine-2-carboxylic acid CAS Name: 1-[5-(diaminomethylideneamino)-2-(2-dibenzofuranylsulfonylamino)-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-[5-(diaminomethylideneamino)-2-(dibenzofuran-2-ylsulfonylamino)pentanoyl]-4-methylpiperidine-2-carboxylic acid Traditional Name: 1-[2-(dibenzofuran-2-ylsulfonylamino)-5-guanidino-pentanoyl]-4-methyl-pipecolinic acid Formula: C25H31N5O6S MolecularWeight: 529.60854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43

Isomeric SMILES

CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43

InChI

InChI=1S/C25H31N5O6S/c1-15-10-12-30(20(13-15)24(32)33)23(31)19(6-4-11-28-25(26)27)29-37(34,35)16-8-9-22-18(14-16)17-5-2-3-7-21(17)36-22/h2-3,5,7-9,14-15,19-20,29H,4,6,10-13H2,1H3,(H,32,33)(H4,26,27,28)