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

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-decan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]propanoic acid Openeye Name: 2-[6-(1-ethoxycarbonylnonylamino)-5-oxo-3-phenyl-1,4-thiazepan-4-yl]propanoic acid CAS Name: 2-[6-[(1-ethoxy-1-oxodecan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]propanoic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxodecan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]propanoic acid Traditional Name: 2-[6-(1-carbethoxynonylamino)-5-keto-3-phenyl-1,4-thiazepan-4-yl]propionic acid Formula: C26H40N2O5S MolecularWeight: 492.6712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)OCC)NC1CSCC(N(C1=O)C(C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(C(=O)OCC)NC1CSCC(N(C1=O)C(C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C26H40N2O5S/c1-4-6-7-8-9-13-16-21(26(32)33-5-2)27-22-17-34-18-23(20-14-11-10-12-15-20)28(24(22)29)19(3)25(30)31/h10-12,14-15,19,21-23,27H,4-9,13,16-18H2,1-3H3,(H,30,31)