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

Systemtic Name: 1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-2-dibenzothiophen-2-ylsulfonyl-4-methyl-piperidine-2-carboxylic acid Openeye Name: 1-(2-amino-5-guanidino-pentanoyl)-2-dibenzothiophen-2-ylsulfonyl-4-methyl-piperidine-2-carboxylic acid CAS Name: 1-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-(2-dibenzothiophenylsulfonyl)-4-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-[2-amino-5-(diaminomethylideneamino)pentanoyl]-2-dibenzothiophen-2-ylsulfonyl-4-methylpiperidine-2-carboxylic acid Traditional Name: 1-(2-amino-5-guanidino-pentanoyl)-2-dibenzothiophen-2-ylsulfonyl-4-methyl-pipecolinic acid Formula: C25H31N5O5S2 MolecularWeight: 545.67414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)(C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)SC4=CC=CC=C43)C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC1CCN(C(C1)(C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)SC4=CC=CC=C43)C(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C25H31N5O5S2/c1-15-10-12-30(22(31)19(26)6-4-11-29-24(27)28)25(14-15,23(32)33)37(34,35)16-8-9-21-18(13-16)17-5-2-3-7-20(17)36-21/h2-3,5,7-9,13,15,19H,4,6,10-12,14,26H2,1H3,(H,32,33)(H4,27,28,29)