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(2S)-3-methyl-3-nitrososulfanyl-2-(pentanoylamino)butanoic acid

(2S)-3-methyl-3-nitrososulfanyl-2-(pentanoylamino)butanoic acid

Systemtic Name:(2S)-3-methyl-3-nitrososulfanyl-2-(pentanoylamino)butanoic acid
Openeye Name:(2S)-3-methyl-3-nitrososulfanyl-2-(pentanoylamino)butanoic acid
CAS Name:(2S)-3-methyl-3-(nitrosothio)-2-(1-oxopentylamino)butanoic acid
IUPAC Name:(2S)-3-methyl-3-nitrososulfanyl-2-(pentanoylamino)butanoic acid
Traditional Name:(2S)-3-methyl-3-(nitrosothio)-2-(valerylamino)butyric acid
Formula: C10H18N2O4S
MolecularWeight: 262.32592
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C(=O)O)C(C)(C)SN=O


Isomeric SMILES

CCCCC(=O)N[C@@H](C(=O)O)C(C)(C)SN=O


InChI

InChI=1S/C10H18N2O4S/c1-4-5-6-7(13)11-8(9(14)15)10(2,3)17-12-16/h8H,4-6H2,1-3H3,(H,11,13)(H,14,15)/t8-/m0/s1


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