(2S)-3-(1-adamantylsulfanyl)-2-azaniumyl-propanoate

Systemtic Name: (2S)-3-(1-adamantylsulfanyl)-2-azaniumyl-propanoate Openeye Name: (2S)-3-(1-adamantylsulfanyl)-2-azaniumyl-propanoate CAS Name: (2S)-3-(1-adamantylthio)-2-ammoniopropanoate IUPAC Name: (2S)-3-(1-adamantylsulfanyl)-2-azaniumylpropanoate Traditional Name: (2S)-3-(1-adamantylthio)-2-ammonio-propionate Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H21NO2S/c14-11(12(15)16)7-17-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11H,1-7,14H2,(H,15,16)/t8?,9?,10?,11-,13?/m1/s1