2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid

Systemtic Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid Openeye Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-[2-(4-pyridyl)ethylsulfanyl]butanoic acid CAS Name: 2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-methyl-3-(2-pyridin-4-ylethylthio)butanoic acid IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid Traditional Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-[2-(4-pyridyl)ethylthio]butyric acid Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)SCCC4=CC=NC=C4

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)SCCC4=CC=NC=C4

InChI

InChI=1S/C27H28N2O4S/c1-27(2,34-16-13-18-11-14-28-15-12-18)24(25(30)31)29-26(32)33-17-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-12,14-15,23-24H,13,16-17H2,1-2H3,(H,29,32)(H,30,31)