tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-4-(phenylmethylsulfanyl)butanoate

Systemtic Name: tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-4-(phenylmethylsulfanyl)butanoate Openeye Name: tert-butyl (3S)-4-benzylsulfanyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-butanoate CAS Name: (3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-oxo-4-(phenylmethylthio)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-benzylsulfanyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate Traditional Name: (3S)-4-(benzylthio)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-keto-butyric acid tert-butyl ester Formula: C30H31NO5S MolecularWeight: 517.63584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)SCC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)SCC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C30H31NO5S/c1-30(2,3)36-27(32)17-26(28(33)37-19-20-11-5-4-6-12-20)31-29(34)35-18-25-23-15-9-7-13-21(23)22-14-8-10-16-24(22)25/h4-16,25-26H,17-19H2,1-3H3,(H,31,34)/t26-/m0/s1