2-[(2-methyl-3-sulfanyl-propanoyl)-pyrrolidin-2-ylcarbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-methyl-3-sulfanyl-propanoyl)-pyrrolidin-2-ylcarbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-methyl-3-sulfanyl-propanoyl)-(pyrrolidine-2-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(3-mercapto-2-methyl-1-oxopropyl)-[oxo(2-pyrrolidinyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-methyl-3-sulfanylpropanoyl)-(pyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-mercapto-2-methyl-propanoyl)-prolyl-amino]-3-phenyl-propionic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2CCCN2

Isomeric SMILES

CC(CS)C(=O)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2CCCN2

InChI

InChI=1S/C18H24N2O4S/c1-12(11-25)16(21)20(17(22)14-8-5-9-19-14)15(18(23)24)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19,25H,5,8-11H2,1H3,(H,23,24)