(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(phenylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(phenylmethyl)imidazol-4-yl]propanoic acid Openeye Name: (2S)-3-(1-benzylimidazol-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[1-(phenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: (2S)-3-(1-benzylimidazol-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-3-(1-benzylimidazol-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(N=C2)CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(N=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C28H25N3O4/c32-27(33)26(14-20-16-31(18-29-20)15-19-8-2-1-3-9-19)30-28(34)35-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,16,18,25-26H,14-15,17H2,(H,30,34)(H,32,33)/t26-/m0/s1