S-(phenylmethyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanethioate

Systemtic Name: S-(phenylmethyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanethioate Openeye Name: S-benzyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanethioate CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-methylpentanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanethioate Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanethioic acid S-benzyl ester Formula: C28H29NO3S MolecularWeight: 459.59976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO3S/c1-19(2)16-26(27(30)33-18-20-10-4-3-5-11-20)29-28(31)32-17-25-23-14-8-6-12-21(23)22-13-7-9-15-24(22)25/h3-15,19,25-26H,16-18H2,1-2H3,(H,29,31)/t26-/m0/s1