(2S)-2-[[(2S)-2-azanylpropanethioyl]amino]-4-oxidanylidene-4-(2-phenylmethoxyethoxy)butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanylpropanethioyl]amino]-4-oxidanylidene-4-(2-phenylmethoxyethoxy)butanoic acid Openeye Name: (2S)-2-[[(2S)-2-aminopropanethioyl]amino]-4-(2-benzyloxyethoxy)-4-oxo-butanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-1-sulfanylidenepropyl]amino]-4-oxo-4-(2-phenylmethoxyethoxy)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-aminopropanethioyl]amino]-4-oxo-4-(2-phenylmethoxyethoxy)butanoic acid Traditional Name: (2S)-2-[[(2S)-2-aminopropanethioyl]amino]-4-(2-benzoxyethoxy)-4-keto-butyric acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=S)NC(CC(=O)OCCOCC1=CC=CC=C1)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=S)N[C@@H](CC(=O)OCCOCC1=CC=CC=C1)C(=O)O)N

InChI

InChI=1S/C16H22N2O5S/c1-11(17)15(24)18-13(16(20)21)9-14(19)23-8-7-22-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10,17H2,1H3,(H,18,24)(H,20,21)/t11-,13-/m0/s1