3-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]oxy-3-phenylmethoxy-phenyl]propanoic acid

Systemtic Name: 3-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]oxy-3-phenylmethoxy-phenyl]propanoic acid Openeye Name: 3-[3-benzyloxy-4-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]oxy-phenyl]propanoic acid CAS Name: 3-[4-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropoxy]-3-phenylmethoxyphenyl]propanoic acid IUPAC Name: 3-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-3-phenylmethoxyphenyl]propanoic acid Traditional Name: 3-[3-benzoxy-4-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]oxy-phenyl]propionic acid Formula: C30H33NO7 MolecularWeight: 519.58552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=C(C=C(C=C2)CCC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC2=C(C=C(C=C2)CCC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H33NO7/c1-30(2,3)38-29(35)31-24(18-21-10-6-4-7-11-21)28(34)37-25-16-14-22(15-17-27(32)33)19-26(25)36-20-23-12-8-5-9-13-23/h4-14,16,19,24H,15,17-18,20H2,1-3H3,(H,31,35)(H,32,33)/t24-/m0/s1