2-[[(2S)-1-oxidanylidene-1-[(3-oxidanylidene-3-phenylmethoxy-propyl)amino]-3-phenyl-propan-2-yl]amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[(2S)-1-oxidanylidene-1-[(3-oxidanylidene-3-phenylmethoxy-propyl)amino]-3-phenyl-propan-2-yl]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[(1S)-1-benzyl-2-[(3-benzyloxy-3-oxo-propyl)amino]-2-oxo-ethyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[(2S)-1-oxo-1-[(3-oxo-3-phenylmethoxypropyl)amino]-3-phenylpropan-2-yl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[(2S)-1-oxo-1-[(3-oxo-3-phenylmethoxypropyl)amino]-3-phenylpropan-2-yl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[(1S)-2-[(3-benzoxy-3-keto-propyl)amino]-1-benzyl-2-keto-ethyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C34H34N2O5 MolecularWeight: 550.64416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCC(=O)OCC2=CC=CC=C2)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)OCC2=CC=CC=C2)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C34H34N2O5/c37-32(41-24-27-12-6-2-7-13-27)20-21-35-33(38)30(22-25-10-4-1-5-11-25)36-31(34(39)40)23-26-16-18-29(19-17-26)28-14-8-3-9-15-28/h1-19,30-31,36H,20-24H2,(H,35,38)(H,39,40)/t30-,31?/m0/s1