2-[6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-(furan-2-yl)-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-(furan-2-yl)-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-2-(2-furyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-(2-furanyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-(furan-2-yl)-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-2-(2-furyl)-5-keto-1,4-thiazepan-4-yl]acetic acid Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CO3

Isomeric SMILES

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CO3

InChI

InChI=1S/C25H32N2O6S/c1-2-3-13-33-25(31)19(12-11-18-8-5-4-6-9-18)26-20-17-34-22(21-10-7-14-32-21)15-27(24(20)30)16-23(28)29/h4-10,14,19-20,22,26H,2-3,11-13,15-17H2,1H3,(H,28,29)