methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-oxidanyl-2-phenylsulfanyl-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-oxidanyl-2-phenylsulfanyl-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-(3-hydroxy-2-phenylsulfanyl-indol-3-yl)propanoate CAS Name: (2S)-3-[3-hydroxy-2-(phenylthio)-3-indolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-hydroxy-2-phenylsulfanylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[3-hydroxy-2-(phenylthio)indol-3-yl]propionic acid methyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1(C2=CC=CC=C2N=C1SC3=CC=CC=C3)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1(C2=CC=CC=C2N=C1SC3=CC=CC=C3)O)C(=O)OC

InChI

InChI=1S/C23H26N2O5S/c1-22(2,3)30-21(27)25-18(19(26)29-4)14-23(28)16-12-8-9-13-17(16)24-20(23)31-15-10-6-5-7-11-15/h5-13,18,28H,14H2,1-4H3,(H,25,27)/t18-,23?/m0/s1