2-[6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-3-thiophen-2-yl-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-3-thiophen-2-yl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-3-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-5-keto-3-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid Formula: C25H32N2O5S2 MolecularWeight: 504.66198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)O)C3=CC=CS3

Isomeric SMILES

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)O)C3=CC=CS3

InChI

InChI=1S/C25H32N2O5S2/c1-2-3-13-32-25(31)19(12-11-18-8-5-4-6-9-18)26-20-16-33-17-21(22-10-7-14-34-22)27(24(20)30)15-23(28)29/h4-10,14,19-21,26H,2-3,11-13,15-17H2,1H3,(H,28,29)