3-[2-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]ethyl-phenylmethoxycarbonyl-amino]propanoic acid

Systemtic Name: 3-[2-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]ethyl-phenylmethoxycarbonyl-amino]propanoic acid Openeye Name: 3-[2-[(2-amino-1-benzyl-2-oxo-ethyl)amino]ethyl-benzyloxycarbonyl-amino]propanoic acid CAS Name: 3-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]ethyl-phenylmethoxycarbonylamino]propanoic acid IUPAC Name: 3-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]ethyl-phenylmethoxycarbonylamino]propanoic acid Traditional Name: 3-[2-[(2-amino-1-benzyl-2-keto-ethyl)amino]ethyl-carbobenzoxy-amino]propionic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NCCN(CCC(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N)NCCN(CCC(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O5/c23-21(28)19(15-17-7-3-1-4-8-17)24-12-14-25(13-11-20(26)27)22(29)30-16-18-9-5-2-6-10-18/h1-10,19,24H,11-16H2,(H2,23,28)(H,26,27)