methyl 2-[[1-[2-[(1-ethoxy-3-heptylsulfanyl-1-oxidanylidene-propan-2-yl)amino]propanoyl]pyrrolidin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-[2-[(1-ethoxy-3-heptylsulfanyl-1-oxidanylidene-propan-2-yl)amino]propanoyl]pyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-[2-[[2-ethoxy-1-(heptylsulfanylmethyl)-2-oxo-ethyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]benzoate CAS Name: 2-[[[1-[2-[[1-ethoxy-3-(heptylthio)-1-oxopropan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[2-[(1-ethoxy-3-heptylsulfanyl-1-oxopropan-2-yl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 2-[[1-[2-[[2-ethoxy-1-[(heptylthio)methyl]-2-keto-ethyl]amino]propanoyl]prolyl]amino]benzoic acid methyl ester Formula: C28H43N3O6S MolecularWeight: 549.72252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC(C(=O)OCC)NC(C)C(=O)N1CCCC1C(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCCCCSCC(C(=O)OCC)NC(C)C(=O)N1CCCC1C(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C28H43N3O6S/c1-5-7-8-9-12-18-38-19-23(28(35)37-6-2)29-20(3)26(33)31-17-13-16-24(31)25(32)30-22-15-11-10-14-21(22)27(34)36-4/h10-11,14-15,20,23-24,29H,5-9,12-13,16-19H2,1-4H3,(H,30,32)