2-[1-(9H-fluoren-9-yl)ethoxycarbonylamino]-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[1-(9H-fluoren-9-yl)ethoxycarbonylamino]-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[1-(9H-fluoren-9-yl)ethoxycarbonylamino]-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[[1-(9H-fluoren-9-yl)ethoxy-oxomethyl]amino]-3-[(4-methoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-[1-(9H-fluoren-9-yl)ethoxycarbonylamino]-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[1-(9H-fluoren-9-yl)ethoxycarbonylamino]-3-(p-anisylthio)propionic acid Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)NC(CSCC4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC(C1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)NC(CSCC4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C27H27NO5S/c1-17(25-22-9-5-3-7-20(22)21-8-4-6-10-23(21)25)33-27(31)28-24(26(29)30)16-34-15-18-11-13-19(32-2)14-12-18/h3-14,17,24-25H,15-16H2,1-2H3,(H,28,31)(H,29,30)