methyl (2S)-2-[[(2R,3S)-2-(methylsulfonylamino)-3-phenylmethoxy-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2R,3S)-2-(methylsulfonylamino)-3-phenylmethoxy-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2R,3S)-3-benzyloxy-2-(methanesulfonamido)butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R,3S)-2-(methanesulfonamido)-1-oxo-3-phenylmethoxybutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R,3S)-2-(methanesulfonamido)-3-phenylmethoxybutanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R,3S)-3-benzoxy-2-(methanesulfonamido)butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NS(=O)(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NS(=O)(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O6S/c1-16(30-15-18-12-8-5-9-13-18)20(24-31(3,27)28)21(25)23-19(22(26)29-2)14-17-10-6-4-7-11-17/h4-13,16,19-20,24H,14-15H2,1-3H3,(H,23,25)/t16-,19-,20+/m0/s1