(2R,3S)-2-benzamido-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hex-5-ynoic acid

Systemtic Name: (2R,3S)-2-benzamido-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hex-5-ynoic acid Openeye Name: (2R,3S)-2-benzamido-3-[4-(tert-butoxycarbonylamino)phenyl]hex-5-ynoic acid CAS Name: (2R,3S)-2-benzamido-3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-5-hexynoic acid IUPAC Name: (2R,3S)-2-benzamido-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hex-5-ynoic acid Traditional Name: (2R,3S)-2-benzamido-3-[4-(tert-butoxycarbonylamino)phenyl]hex-5-ynoic acid Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(CC#C)C(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)[C@H](CC#C)[C@H](C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H26N2O5/c1-5-9-19(20(22(28)29)26-21(27)17-10-7-6-8-11-17)16-12-14-18(15-13-16)25-23(30)31-24(2,3)4/h1,6-8,10-15,19-20H,9H2,2-4H3,(H,25,30)(H,26,27)(H,28,29)/t19-,20+/m0/s1