ethyl (2R,3R)-2-benzamido-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hex-5-ynoate

Systemtic Name: ethyl (2R,3R)-2-benzamido-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hex-5-ynoate Openeye Name: ethyl (2R,3R)-2-benzamido-3-[4-(tert-butoxycarbonylamino)phenyl]hex-5-ynoate CAS Name: (2R,3R)-2-benzamido-3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-5-hexynoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-2-benzamido-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hex-5-ynoate Traditional Name: (2R,3R)-2-benzamido-3-[4-(tert-butoxycarbonylamino)phenyl]hex-5-ynoic acid ethyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O5/c1-6-11-21(18-14-16-20(17-15-18)27-25(31)33-26(3,4)5)22(24(30)32-7-2)28-23(29)19-12-9-8-10-13-19/h1,8-10,12-17,21-22H,7,11H2,2-5H3,(H,27,31)(H,28,29)/t21-,22-/m1/s1