1-[5-[bis(azanyl)methylideneamino]-2-(sulfanylmethyl)pentanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[5-[bis(azanyl)methylideneamino]-2-(sulfanylmethyl)pentanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[5-guanidino-2-(sulfanylmethyl)pentanoyl]piperidine-2-carboxylic acid CAS Name: 1-[5-(diaminomethylideneamino)-2-(mercaptomethyl)-1-oxopentyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[5-(diaminomethylideneamino)-2-(sulfanylmethyl)pentanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[5-guanidino-2-(mercaptomethyl)pentanoyl]pipecolinic acid Formula: C13H24N4O3S MolecularWeight: 316.41966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)CS

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)CS

InChI

InChI=1S/C13H24N4O3S/c14-13(15)16-6-3-4-9(8-21)11(18)17-7-2-1-5-10(17)12(19)20/h9-10,21H,1-8H2,(H,19,20)(H4,14,15,16)