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

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-cyclohexyl-butanoic acid Openeye Name: 2-[[4-(carboxymethyl)-5-oxo-2-(2-thienyl)-1,4-thiazepan-6-yl]amino]-4-cyclohexyl-butanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-cyclohexylbutanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-cyclohexylbutanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-2-(2-thienyl)-1,4-thiazepan-6-yl]amino]-4-cyclohexyl-butyric acid Formula: C21H30N2O5S2 MolecularWeight: 454.6033

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(C(=O)O)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3

Isomeric SMILES

C1CCC(CC1)CCC(C(=O)O)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3

InChI

InChI=1S/C21H30N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h4,7,10,14-16,18,22H,1-3,5-6,8-9,11-13H2,(H,24,25)(H,27,28)