2-azanyl-3-[2-[2-chloroethylcarbamoyl(nitroso)amino]ethylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-[2-chloroethylcarbamoyl(nitroso)amino]ethylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2-[2-chloroethylcarbamoyl(nitroso)amino]ethylsulfanyl]propanoic acid CAS Name: 2-amino-3-[2-[[(2-chloroethylamino)-oxomethyl]-nitrosoamino]ethylthio]propanoic acid IUPAC Name: 2-amino-3-[2-[2-chloroethylcarbamoyl(nitroso)amino]ethylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[2-[2-chloroethylcarbamoyl(nitroso)amino]ethylthio]propionic acid Formula: C8H15ClN4O4S MolecularWeight: 298.7471

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Descriptors Computed from Structure

Canonical SMILES:

C(CCl)NC(=O)N(CCSCC(C(=O)O)N)N=O

Isomeric SMILES

C(CCl)NC(=O)N(CCSCC(C(=O)O)N)N=O

InChI

InChI=1S/C8H15ClN4O4S/c9-1-2-11-8(16)13(12-17)3-4-18-5-6(10)7(14)15/h6H,1-5,10H2,(H,11,16)(H,14,15)