(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(4-oxidanylidenepentanoyloxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(4-oxidanylidenepentanoyloxy)phenyl]propanoic acid Openeye Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(4-oxopentanoyloxy)phenyl]propanoic acid CAS Name: (2S)-3-[4-(1,4-dioxopentoxy)phenyl]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(4-oxopentanoyloxy)phenyl]propanoic acid Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(4-ketopentanoyloxy)phenyl]propionic acid Formula: C29H27NO7 MolecularWeight: 501.52718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(=O)CCC(=O)OC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C29H27NO7/c1-18(31)10-15-27(32)37-20-13-11-19(12-14-20)16-26(28(33)34)30-29(35)36-17-25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25/h2-9,11-14,25-26H,10,15-17H2,1H3,(H,30,35)(H,33,34)/t26-/m0/s1