(2S)-2-[3-anthracen-9-ylprop-2-ynyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

Systemtic Name: (2S)-2-[3-anthracen-9-ylprop-2-ynyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid Openeye Name: (2S)-2-[3-(9-anthryl)prop-2-ynyl-tert-butoxycarbonyl-amino]propanoic acid CAS Name: (2S)-2-[3-(9-anthracenyl)prop-2-ynyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[3-anthracen-9-ylprop-2-ynyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid Traditional Name: (2S)-2-[3-(9-anthryl)prop-2-ynyl-tert-butoxycarbonyl-amino]propionic acid Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC#CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)O)N(CC#CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H25NO4/c1-17(23(27)28)26(24(29)30-25(2,3)4)15-9-14-22-20-12-7-5-10-18(20)16-19-11-6-8-13-21(19)22/h5-8,10-13,16-17H,15H2,1-4H3,(H,27,28)/t17-/m0/s1