2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoylamino]-3-(2-methyl-1,3-dithian-2-yl)propanoic acid

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoylamino]-3-(2-methyl-1,3-dithian-2-yl)propanoic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoylamino]-3-(2-methyl-1,3-dithian-2-yl)propanoic acid CAS Name: 2-[[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]amino]-3-(2-methyl-1,3-dithian-2-yl)propanoic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoylamino]-3-(2-methyl-1,3-dithian-2-yl)propanoic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoylamino]-3-(2-methyl-1,3-dithian-2-yl)propionic acid Formula: C23H34N2O5S2 MolecularWeight: 482.65646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)NC(CC2(SCCCS2)C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)NC(CC2(SCCCS2)C)C(=O)O

InChI

InChI=1S/C23H34N2O5S2/c1-4-30-22(29)18(12-11-17-9-6-5-7-10-17)24-16(2)20(26)25-19(21(27)28)15-23(3)31-13-8-14-32-23/h5-7,9-10,16,18-19,24H,4,8,11-15H2,1-3H3,(H,25,26)(H,27,28)