2-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-3-naphthalen-1-ylsulfonyl-piperidine-2-carboxylic acid; 12-azanyldodecanoic acid

Systemtic Name: 2-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-3-naphthalen-1-ylsulfonyl-piperidine-2-carboxylic acid; 12-azanyldodecanoic acid Openeye Name: 12-aminododecanoic acid; 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; 12-aminododecanoic acid IUPAC Name: 2-[2-amino-5-(diaminomethylideneamino)pentanoyl]-3-naphthalen-1-ylsulfonylpiperidine-2-carboxylic acid; 12-aminododecanoic acid Traditional Name: 2-(2-amino-5-guanidino-pentanoyl)-3-(1-naphthylsulfonyl)pipecolinic acid; 12-aminolauric acid Formula: C34H54N6O7S MolecularWeight: 690.89356

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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.C(CCCCCC(=O)O)CCCCCN

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.C(CCCCCC(=O)O)CCCCCN

InChI

InChI=1S/C22H29N5O5S.C12H25NO2/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;13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-3,6-8,10,16,18,27H,4-5,9,11-13,23H2,(H,29,30)(H4,24,25,26);1-11,13H2,(H,14,15)