2-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-3-naphthalen-1-ylsulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 2-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-3-naphthalen-1-ylsulfonyl-piperidine-2-carboxylic acid Openeye Name: 2-(2-amino-5-guanidino-pentanoyl)-3-(1-naphthylsulfonyl)piperidine-2-carboxylic acid CAS Name: 2-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-3-(1-naphthalenylsulfonyl)-2-piperidinecarboxylic acid IUPAC Name: 2-[2-amino-5-(diaminomethylideneamino)pentanoyl]-3-naphthalen-1-ylsulfonylpiperidine-2-carboxylic acid Traditional Name: 2-(2-amino-5-guanidino-pentanoyl)-3-(1-naphthylsulfonyl)pipecolinic acid Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)(C(=O)C(CCCN=C(N)N)N)C(=O)O)S(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1CC(C(NC1)(C(=O)C(CCCN=C(N)N)N)C(=O)O)S(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H29N5O5S/c23-16(9-4-12-26-21(24)25)19(28)22(20(29)30)18(11-5-13-27-22)33(31,32)17-10-3-7-14-6-1-2-8-15(14)17/h1-3,6-8,10,16,18,27H,4-5,9,11-13,23H2,(H,29,30)(H4,24,25,26)