2-[[2-[(4-azidophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[(4-azidophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[(4-azidophenyl)methyl]-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-[(4-azidophenyl)methyl]-3-mercapto-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-[(4-azidophenyl)methyl]-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[2-(4-azidobenzyl)-3-mercapto-propanoyl]amino]acetic acid Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CS)C(=O)NCC(=O)O)N=[N+]=[N-]

Isomeric SMILES

C1=CC(=CC=C1CC(CS)C(=O)NCC(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C12H14N4O3S/c13-16-15-10-3-1-8(2-4-10)5-9(7-20)12(19)14-6-11(17)18/h1-4,9,20H,5-7H2,(H,14,19)(H,17,18)