(4,7-dimethyl-2-oxidanylidene-chromen-5-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (4,7-dimethyl-2-oxidanylidene-chromen-5-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (4,7-dimethyl-2-oxo-chromen-5-yl) (2R)-3-benzylsulfanyl-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid (4,7-dimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4,7-dimethyl-2-oxochromen-5-yl) (2R)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-(tert-butoxycarbonylamino)propionic acid (2-keto-4,7-dimethyl-chromen-5-yl) ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(=O)C(CSCC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(=O)[C@H](CSCC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H29NO6S/c1-16-11-20-23(17(2)13-22(28)31-20)21(12-16)32-24(29)19(27-25(30)33-26(3,4)5)15-34-14-18-9-7-6-8-10-18/h6-13,19H,14-15H2,1-5H3,(H,27,30)/t19-/m0/s1