(2R)-2-[[2-(2-methylprop-2-enoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-(2-methylprop-2-enoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(2-methylprop-2-enoylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-2-[(2-methyl-1-oxoprop-2-enyl)amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(2-methylprop-2-enoylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[(4-mercapto-2-methacrylamido-butanoyl)amino]-3-phenyl-propionic acid Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=C)C(=O)NC(CCS)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C17H22N2O4S/c1-11(2)15(20)18-13(8-9-24)16(21)19-14(17(22)23)10-12-6-4-3-5-7-12/h3-7,13-14,24H,1,8-10H2,2H3,(H,18,20)(H,19,21)(H,22,23)/t13?,14-/m1/s1