tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-4-pyridin-2-ylsulfanyl-butanoate

Systemtic Name: tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-4-pyridin-2-ylsulfanyl-butanoate Openeye Name: tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(2-pyridylsulfanyl)butanoate CAS Name: (3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-oxo-4-(2-pyridinylthio)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-pyridin-2-ylsulfanylbutanoate Traditional Name: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-keto-4-(2-pyridylthio)butyric acid tert-butyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)SC1=CC=CC=N1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)SC1=CC=CC=N1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C28H28N2O5S/c1-28(2,3)35-25(31)16-23(26(32)36-24-14-8-9-15-29-24)30-27(33)34-17-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-15,22-23H,16-17H2,1-3H3,(H,30,33)/t23-/m0/s1