(E)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]prop-2-enoic acid

Systemtic Name: (E)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]prop-2-enoic acid Openeye Name: (E)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-prop-2-enoic acid CAS Name: (E)-2-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3-phenyl-2-propenoic acid IUPAC Name: (E)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]prop-2-enoic acid Traditional Name: (E)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-acrylic acid Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(=CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H24N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,17,22H,16,18H2,(H,27,29)(H,28,32)(H,30,31)/b23-17+/t22-/m0/s1