2-[[2-oxidanyl-3-(3-oxidanylidenebutanethioylamino)-4-phenyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-oxidanyl-3-(3-oxidanylidenebutanethioylamino)-4-phenyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[2-hydroxy-3-(3-oxobutanethioylamino)-4-phenyl-butanoyl]amino]acetic acid CAS Name: 2-[[2-hydroxy-1-oxo-3-[(3-oxo-1-sulfanylidenebutyl)amino]-4-phenylbutyl]amino]acetic acid IUPAC Name: 2-[[2-hydroxy-3-(3-oxobutanethioylamino)-4-phenylbutanoyl]amino]acetic acid Traditional Name: 2-[[2-hydroxy-3-(3-ketobutanethioylamino)-4-phenyl-butanoyl]amino]acetic acid Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=S)NC(CC1=CC=CC=C1)C(C(=O)NCC(=O)O)O

Isomeric SMILES

CC(=O)CC(=S)NC(CC1=CC=CC=C1)C(C(=O)NCC(=O)O)O

InChI

InChI=1S/C16H20N2O5S/c1-10(19)7-13(24)18-12(8-11-5-3-2-4-6-11)15(22)16(23)17-9-14(20)21/h2-6,12,15,22H,7-9H2,1H3,(H,17,23)(H,18,24)(H,20,21)