methyl (2S)-2-[[(3S)-3-diphenylphosphinothioyl-3-phenyl-propanoyl]amino]-3,3-dimethyl-butanoate

Systemtic Name: methyl (2S)-2-[[(3S)-3-diphenylphosphinothioyl-3-phenyl-propanoyl]amino]-3,3-dimethyl-butanoate Openeye Name: methyl (2S)-2-[[(3S)-3-diphenylphosphinothioyl-3-phenyl-propanoyl]amino]-3,3-dimethyl-butanoate CAS Name: (2S)-2-[[(3S)-3-diphenylphosphinothioyl-1-oxo-3-phenylpropyl]amino]-3,3-dimethylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(3S)-3-diphenylphosphinothioyl-3-phenylpropanoyl]amino]-3,3-dimethylbutanoate Traditional Name: (2S)-2-[[(3S)-3-diphenylthiophosphoryl-3-phenyl-propanoyl]amino]-3,3-dimethyl-butyric acid methyl ester Formula: C28H32NO3PS MolecularWeight: 493.597341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)OC)NC(=O)CC(C1=CC=CC=C1)P(=S)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)OC)NC(=O)C[C@@H](C1=CC=CC=C1)P(=S)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H32NO3PS/c1-28(2,3)26(27(31)32-4)29-25(30)20-24(21-14-8-5-9-15-21)33(34,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24,26H,20H2,1-4H3,(H,29,30)/t24-,26+/m0/s1