methyl (2S)-2-[[(3S)-3-diphenylphosphinothioylbutanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(3S)-3-diphenylphosphinothioylbutanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(3S)-3-diphenylphosphinothioylbutanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3S)-3-diphenylphosphinothioyl-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(3S)-3-diphenylphosphinothioylbutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(3S)-3-diphenylthiophosphorylbutanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C22H28NO3PS MolecularWeight: 417.501381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO3PS/c1-16(2)21(22(25)26-4)23-20(24)15-17(3)27(28,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,21H,15H2,1-4H3,(H,23,24)/t17-,21-/m0/s1