2-[[4-(carboxymethyl)-3-cyclohexyl-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[4-(carboxymethyl)-3-cyclohexyl-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[4-(carboxymethyl)-3-cyclohexyl-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[4-(carboxymethyl)-3-cyclohexyl-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-3-cyclohexyl-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[4-(carboxymethyl)-3-cyclohexyl-5-keto-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CSCC(C(=O)N2CC(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2CSCC(C(=O)N2CC(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H32N2O5S/c26-21(27)13-25-20(17-9-5-2-6-10-17)15-31-14-19(22(25)28)24-18(23(29)30)12-11-16-7-3-1-4-8-16/h1,3-4,7-8,17-20,24H,2,5-6,9-15H2,(H,26,27)(H,29,30)