(2R)-2-[2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2R)-2-[2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(4-butyl-7-methyl-2-oxo-chromen-5-yl)oxyacetyl]amino]propanoate CAS Name: (2R)-2-[[2-[(4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-[[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[[2-(4-butyl-2-keto-7-methyl-chromen-5-yl)oxyacetyl]amino]propionate Formula: C26H28NO6S- MolecularWeight: 482.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C26H29NO6S/c1-3-4-10-19-13-24(29)33-22-12-17(2)11-21(25(19)22)32-14-23(28)27-20(26(30)31)16-34-15-18-8-6-5-7-9-18/h5-9,11-13,20H,3-4,10,14-16H2,1-2H3,(H,27,28)(H,30,31)/p-1/t20-/m0/s1