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

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-4-yl]propanoic acid Openeye Name: 2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-2-(3-thienyl)-1,4-thiazepan-4-yl]propanoic acid CAS Name: 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-2-(3-thiophenyl)-1,4-thiazepan-4-yl]propanoic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-2-thiophen-3-yl-1,4-thiazepan-4-yl]propanoic acid Traditional Name: 2-[6-[(1-carbethoxy-3-phenyl-propyl)amino]-5-keto-2-(3-thienyl)-1,4-thiazepan-4-yl]propionic acid Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)C(C)C(=O)O)C3=CSC=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)C(C)C(=O)O)C3=CSC=C3

InChI

InChI=1S/C24H30N2O5S2/c1-3-31-24(30)19(10-9-17-7-5-4-6-8-17)25-20-15-33-21(18-11-12-32-14-18)13-26(22(20)27)16(2)23(28)29/h4-8,11-12,14,16,19-21,25H,3,9-10,13,15H2,1-2H3,(H,28,29)