2-[[3-oxidanyl-2-(2-sulfanylethanoylamino)butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-oxidanyl-2-(2-sulfanylethanoylamino)butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-hydroxy-2-[(2-sulfanylacetyl)amino]butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-hydroxy-2-[(2-mercapto-1-oxoethyl)amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-hydroxy-2-[(2-sulfanylacetyl)amino]butanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-hydroxy-2-[(2-mercaptoacetyl)amino]butanoyl]amino]-3-phenyl-propionic acid Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)CS)O

Isomeric SMILES

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)CS)O

InChI

InChI=1S/C15H20N2O5S/c1-9(18)13(17-12(19)8-23)14(20)16-11(15(21)22)7-10-5-3-2-4-6-10/h2-6,9,11,13,18,23H,7-8H2,1H3,(H,16,20)(H,17,19)(H,21,22)