(2S)-3-phenyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]propanoic acid

Systemtic Name: (2S)-3-phenyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenyl-propionic acid Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CNC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CNC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O6/c25-18(12-23-21(29)30-14-16-9-5-2-6-10-16)22-13-19(26)24-17(20(27)28)11-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,22,25)(H,23,29)(H,24,26)(H,27,28)/t17-/m0/s1