2-[[1-[carboxymethyl(thian-4-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-[carboxymethyl(thian-4-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-benzyl-2-[carboxymethyl(tetrahydrothiopyran-4-yl)amino]-2-oxo-ethyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[1-[carboxymethyl(4-thianyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-[carboxymethyl(thian-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-benzyl-2-[carboxymethyl(tetrahydrothiopyran-4-yl)amino]-2-keto-ethyl]amino]-3-phenyl-propionic acid Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1N(CC(=O)O)C(=O)C(CC2=CC=CC=C2)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CSCCC1N(CC(=O)O)C(=O)C(CC2=CC=CC=C2)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H30N2O5S/c28-23(29)17-27(20-11-13-33-14-12-20)24(30)21(15-18-7-3-1-4-8-18)26-22(25(31)32)16-19-9-5-2-6-10-19/h1-10,20-22,26H,11-17H2,(H,28,29)(H,31,32)