4-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]-2-phenylmethoxy-phenyl]benzoic acid

Systemtic Name: 4-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]-2-phenylmethoxy-phenyl]benzoic acid Openeye Name: 4-[2-benzyloxy-5-[(2S)-3-benzyloxy-2-(tert-butoxycarbonylamino)-3-oxo-propyl]phenyl]benzoic acid CAS Name: 4-[5-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-3-phenylmethoxypropyl]-2-phenylmethoxyphenyl]benzoic acid IUPAC Name: 4-[5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxypropyl]-2-phenylmethoxyphenyl]benzoic acid Traditional Name: 4-[2-benzoxy-5-[(2S)-3-benzoxy-2-(tert-butoxycarbonylamino)-3-keto-propyl]phenyl]benzoic acid Formula: C35H35NO7 MolecularWeight: 581.6549

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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)C3=CC=C(C=C3)C(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C35H35NO7/c1-35(2,3)43-34(40)36-30(33(39)42-23-25-12-8-5-9-13-25)21-26-14-19-31(41-22-24-10-6-4-7-11-24)29(20-26)27-15-17-28(18-16-27)32(37)38/h4-20,30H,21-23H2,1-3H3,(H,36,40)(H,37,38)/t30-/m0/s1