methyl (2S)-2-[[(4S,5R)-5-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]-4,5-dihydro-1,3-oxazol-4-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-2-[[(4S,5R)-5-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]-4,5-dihydro-1,3-oxazol-4-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[[(4S,5R)-2-[(1S)-1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]-5-methyl-4,5-dihydrooxazole-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[(4S,5R)-5-methyl-2-[(1S)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylethyl]-4,5-dihydrooxazol-4-yl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(4S,5R)-5-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[(4S,5R)-2-[(1S)-1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]-5-methyl-2-oxazoline-4-carbonyl]amino]propionic acid methyl ester Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N=C(O1)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)OC

Isomeric SMILES

C[C@@H]1[C@H](N=C(O1)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)OC

InChI

InChI=1S/C22H31N3O6/c1-13(20(27)29-6)23-18(26)17-14(2)30-19(25-17)16(12-15-10-8-7-9-11-15)24-21(28)31-22(3,4)5/h7-11,13-14,16-17H,12H2,1-6H3,(H,23,26)(H,24,28)/t13-,14+,16-,17-/m0/s1