2-[[2-(tert-butylsulfanylmethyl)-3-(3-tritiophenyl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(tert-butylsulfanylmethyl)-3-(3-tritiophenyl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(tert-butylsulfanylmethyl)-3-(3-tritiophenyl)propanoyl]amino]acetic acid CAS Name: 2-[[2-[(tert-butylthio)methyl]-1-oxo-3-(3-tritiophenyl)propyl]amino]acetic acid IUPAC Name: 2-[[2-(tert-butylsulfanylmethyl)-3-(3-tritiophenyl)propanoyl]amino]acetic acid Traditional Name: 2-[[2-[(tert-butylthio)methyl]-3-(3-tritiophenyl)propanoyl]amino]acetic acid Formula: C16H23NO3S MolecularWeight: 311.431829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)O

Isomeric SMILES

[3H]C1=CC=CC(=C1)CC(CSC(C)(C)C)C(=O)NCC(=O)O

InChI

InChI=1S/C16H23NO3S/c1-16(2,3)21-11-13(15(20)17-10-14(18)19)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/i5T