(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoate

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoate Openeye Name: (2S)-3-[4-(benzyloxycarbonylamino)phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoate IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoate Traditional Name: (2S)-3-[4-(benzyloxycarbonylamino)phenyl]-2-(tert-butoxycarbonylamino)propionate Formula: C22H25N2O6- MolecularWeight: 413.4437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-22(2,3)30-21(28)24-18(19(25)26)13-15-9-11-17(12-10-15)23-20(27)29-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,23,27)(H,24,28)(H,25,26)/p-1/t18-/m0/s1