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

Systemtic Name: 1-[5-[bis(azanyl)methylideneamino]-2-nitroso-2-(sulfanylmethyl)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-guanidino-2-nitroso-2-(sulfanylmethyl)pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-(diaminomethylideneamino)-2-(mercaptomethyl)-2-nitroso-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-(diaminomethylideneamino)-2-nitroso-2-(sulfanylmethyl)pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-guanidino-2-(mercaptomethyl)-2-nitroso-pentanoyl]proline Formula: C12H21N5O4S MolecularWeight: 331.39124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCN=C(N)N)(CS)N=O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCN=C(N)N)(CS)N=O)C(=O)O

InChI

InChI=1S/C12H21N5O4S/c13-11(14)15-5-2-4-12(7-22,16-21)10(20)17-6-1-3-8(17)9(18)19/h8,22H,1-7H2,(H,18,19)(H4,13,14,15)