[5-[bis(azanyl)methylideneamino]-2-(nitrososulfanylmethyl)pentanoyl] 4-oxidanylpyrrolidine-2-carboxylate

Systemtic Name: [5-[bis(azanyl)methylideneamino]-2-(nitrososulfanylmethyl)pentanoyl] 4-oxidanylpyrrolidine-2-carboxylate Openeye Name: [5-guanidino-2-(nitrososulfanylmethyl)pentanoyl] 4-hydroxypyrrolidine-2-carboxylate CAS Name: 4-hydroxy-2-pyrrolidinecarboxylic acid [5-(diaminomethylideneamino)-2-[(nitrosothio)methyl]-1-oxopentyl] ester IUPAC Name: [5-(diaminomethylideneamino)-2-(nitrososulfanylmethyl)pentanoyl] 4-hydroxypyrrolidine-2-carboxylate Traditional Name: 4-hydroxypyrrolidine-2-carboxylic acid [5-guanidino-2-[(nitrosothio)methyl]pentanoyl] ester Formula: C12H21N5O5S MolecularWeight: 347.39064

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)OC(=O)C(CCCN=C(N)N)CSN=O)O

Isomeric SMILES

C1C(CNC1C(=O)OC(=O)C(CCCN=C(N)N)CSN=O)O

InChI

InChI=1S/C12H21N5O5S/c13-12(14)15-3-1-2-7(6-23-17-21)10(19)22-11(20)9-4-8(18)5-16-9/h7-9,16,18H,1-6H2,(H4,13,14,15)