2-[[1-ethoxy-1-oxidanylidene-3-[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl]sulfanyl-propan-2-yl]amino]propanoic acid

Systemtic Name: 2-[[1-ethoxy-1-oxidanylidene-3-[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl]sulfanyl-propan-2-yl]amino]propanoic acid Openeye Name: 2-[[1-[[2-[benzyl(isopropyl)amino]-2-oxo-ethyl]sulfanylmethyl]-2-ethoxy-2-oxo-ethyl]amino]propanoic acid CAS Name: 2-[[1-ethoxy-1-oxo-3-[[2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl]thio]propan-2-yl]amino]propanoic acid IUPAC Name: 2-[[3-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid Traditional Name: 2-[[1-[[[2-[benzyl(isopropyl)amino]-2-keto-ethyl]thio]methyl]-2-ethoxy-2-keto-ethyl]amino]propionic acid Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC(=O)N(CC1=CC=CC=C1)C(C)C)NC(C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CSCC(=O)N(CC1=CC=CC=C1)C(C)C)NC(C)C(=O)O

InChI

InChI=1S/C20H30N2O5S/c1-5-27-20(26)17(21-15(4)19(24)25)12-28-13-18(23)22(14(2)3)11-16-9-7-6-8-10-16/h6-10,14-15,17,21H,5,11-13H2,1-4H3,(H,24,25)