(2R)-2-[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2R)-2-[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-[3-(3-tert-butyl-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]propanoate CAS Name: (2R)-2-[[3-(3-tert-butyl-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[3-(3-tert-butyl-7-keto-5-methyl-furo[3,2-g]chromen-6-yl)propanoylamino]propionate Formula: C29H30NO6S- MolecularWeight: 520.6166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)NC(CSCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)N[C@@H](CSCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C29H31NO6S/c1-17-19(10-11-26(31)30-23(27(32)33)16-37-15-18-8-6-5-7-9-18)28(34)36-25-13-24-21(12-20(17)25)22(14-35-24)29(2,3)4/h5-9,12-14,23H,10-11,15-16H2,1-4H3,(H,30,31)(H,32,33)/p-1/t23-/m0/s1