2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]anilino)acetic acid CAS Name: 2-(N-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propyl]anilino)acetic acid IUPAC Name: 2-(N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]anilino)acetic acid Traditional Name: 2-(N-[3-(4-benzoxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]anilino)acetic acid Formula: C29H32N2O6 MolecularWeight: 504.57418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C29H32N2O6/c1-29(2,3)37-28(35)30-25(27(34)31(19-26(32)33)23-12-8-5-9-13-23)18-21-14-16-24(17-15-21)36-20-22-10-6-4-7-11-22/h4-17,25H,18-20H2,1-3H3,(H,30,35)(H,32,33)