2-[[(2S)-2-azanylpropanoyl]amino]-3-phenyl-3-sulfanylidene-propanoic acid

Systemtic Name: 2-[[(2S)-2-azanylpropanoyl]amino]-3-phenyl-3-sulfanylidene-propanoic acid Openeye Name: 2-[[(2S)-2-aminopropanoyl]amino]-3-phenyl-3-thioxo-propanoic acid CAS Name: 2-[[(2S)-2-amino-1-oxopropyl]amino]-3-phenyl-3-sulfanylidenepropanoic acid IUPAC Name: 2-[[(2S)-2-aminopropanoyl]amino]-3-phenyl-3-sulfanylidenepropanoic acid Traditional Name: 2-[[(2S)-2-aminopropanoyl]amino]-3-phenyl-3-thioxo-propionic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C(=S)C1=CC=CC=C1)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)NC(C(=S)C1=CC=CC=C1)C(=O)O)N

InChI

InChI=1S/C12H14N2O3S/c1-7(13)11(15)14-9(12(16)17)10(18)8-5-3-2-4-6-8/h2-7,9H,13H2,1H3,(H,14,15)(H,16,17)/t7-,9?/m0/s1