2-[[1-ethoxy-1-oxidanylidene-3-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-propan-2-yl]amino]propanoic acid

Systemtic Name: 2-[[1-ethoxy-1-oxidanylidene-3-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-propan-2-yl]amino]propanoic acid Openeye Name: 2-[[1-[[2-(benzyloxycarbonylamino)-3-phenyl-propyl]sulfanylmethyl]-2-ethoxy-2-oxo-ethyl]amino]propanoic acid CAS Name: 2-[[1-ethoxy-1-oxo-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]thio]propan-2-yl]amino]propanoic acid IUPAC Name: 2-[[1-ethoxy-1-oxo-3-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]sulfanylpropan-2-yl]amino]propanoic acid Traditional Name: 2-[[1-[[[2-(benzyloxycarbonylamino)-3-phenyl-propyl]thio]methyl]-2-ethoxy-2-keto-ethyl]amino]propionic acid Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)NC(C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CSCC(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)NC(C)C(=O)O

InChI

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