2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl-(thiolan-2-ylmethyl)amino]propanoic acid

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl-(thiolan-2-ylmethyl)amino]propanoic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl-(tetrahydrothiophen-2-ylmethyl)amino]propanoic acid CAS Name: 2-[[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-(2-thiolanylmethyl)amino]propanoic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl-(thiolan-2-ylmethyl)amino]propanoic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl-(tetrahydrothiophen-2-ylmethyl)amino]propionic acid Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC2CCCS2)C(C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC2CCCS2)C(C)C(=O)O

InChI

InChI=1S/C23H34N2O5S/c1-4-30-23(29)20(13-12-18-9-6-5-7-10-18)24-16(2)21(26)25(17(3)22(27)28)15-19-11-8-14-31-19/h5-7,9-10,16-17,19-20,24H,4,8,11-15H2,1-3H3,(H,27,28)