methyl (2S)-2-[[(2R)-2-(methylsulfonylamino)-4-phenyl-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2-(methylsulfonylamino)-4-phenyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-(methanesulfonamido)-4-phenyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R)-2-(methanesulfonamido)-1-oxo-4-phenylbutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-(methanesulfonamido)-4-phenylbutanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R)-2-(methanesulfonamido)-4-phenyl-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC2=CC=CC=C2)NS(=O)(=O)C

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CCC2=CC=CC=C2)NS(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-28-21(25)19(15-17-11-7-4-8-12-17)22-20(24)18(23-29(2,26)27)14-13-16-9-5-3-6-10-16/h3-12,18-19,23H,13-15H2,1-2H3,(H,22,24)/t18-,19+/m1/s1