4-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,4-thiazocane-3-carboxylic acid

Systemtic Name: 4-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,4-thiazocane-3-carboxylic acid Openeye Name: 4-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-1,4-thiazocane-3-carboxylic acid CAS Name: 4-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-1,4-thiazocane-3-carboxylic acid IUPAC Name: 4-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1,4-thiazocane-3-carboxylic acid Traditional Name: 4-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-1,4-thiazocane-3-carboxylic acid Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCCSCC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCCSCC2C(=O)O

InChI

InChI=1S/C22H32N2O5S/c1-3-29-22(28)18(12-11-17-9-5-4-6-10-17)23-16(2)20(25)24-13-7-8-14-30-15-19(24)21(26)27/h4-6,9-10,16,18-19,23H,3,7-8,11-15H2,1-2H3,(H,26,27)