6-[2-[(1-methoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,6-thiazecane-5-carboxylic acid

Systemtic Name: 6-[2-[(1-methoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,6-thiazecane-5-carboxylic acid Openeye Name: 6-[2-[(1-methoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-1,6-thiazecane-5-carboxylic acid CAS Name: 6-[2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-1,6-thiazecane-5-carboxylic acid IUPAC Name: 6-[2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1,6-thiazecane-5-carboxylic acid Traditional Name: 6-[2-[(1-carbomethoxy-3-phenyl-propyl)amino]propanoyl]-1,6-thiazecane-5-carboxylic acid Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCSCCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C(=O)N1CCCCSCCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C23H34N2O5S/c1-17(24-19(23(29)30-2)13-12-18-9-4-3-5-10-18)21(26)25-14-6-7-15-31-16-8-11-20(25)22(27)28/h3-5,9-10,17,19-20,24H,6-8,11-16H2,1-2H3,(H,27,28)