2-[[4-methyl-2-(2-sulfanylethanoylamino)pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-methyl-2-(2-sulfanylethanoylamino)pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-methyl-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2-mercapto-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-methyl-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(2-mercaptoacetyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-11(2)8-13(18-15(20)10-24)16(21)19-14(17(22)23)9-12-6-4-3-5-7-12/h3-7,11,13-14,24H,8-10H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)