2-[1,3-dithiolan-2-ylmethyl-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]amino]propanoic acid

Systemtic Name: 2-[1,3-dithiolan-2-ylmethyl-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]amino]propanoic acid Openeye Name: 2-[1,3-dithiolan-2-ylmethyl-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]amino]propanoic acid CAS Name: 2-[1,3-dithiolan-2-ylmethyl-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[1,3-dithiolan-2-ylmethyl-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]amino]propanoic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl-(1,3-dithiolan-2-ylmethyl)amino]propionic acid Formula: C22H32N2O5S2 MolecularWeight: 468.62988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC2SCCS2)C(C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC2SCCS2)C(C)C(=O)O

InChI

InChI=1S/C22H32N2O5S2/c1-4-29-22(28)18(11-10-17-8-6-5-7-9-17)23-15(2)20(25)24(16(3)21(26)27)14-19-30-12-13-31-19/h5-9,15-16,18-19,23H,4,10-14H2,1-3H3,(H,26,27)