2-[6-[(4-cyclohexyl-1-ethoxy-1-oxidanylidene-butan-2-yl)amino]-2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-cyclohexyl-1-ethoxy-1-oxidanylidene-butan-2-yl)amino]-2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(3-cyclohexyl-1-ethoxycarbonyl-propyl)amino]-2-(1-naphthyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]-2-(1-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]-2-naphthalen-1-yl-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-carbethoxy-3-cyclohexyl-propyl)amino]-5-keto-2-(1-naphthyl)-1,4-thiazepan-4-yl]acetic acid Formula: C29H38N2O5S MolecularWeight: 526.68742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1CCCCC1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C(CCC1CCCCC1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H38N2O5S/c1-2-36-29(35)24(16-15-20-9-4-3-5-10-20)30-25-19-37-26(17-31(28(25)34)18-27(32)33)23-14-8-12-21-11-6-7-13-22(21)23/h6-8,11-14,20,24-26,30H,2-5,9-10,15-19H2,1H3,(H,32,33)