methyl (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-benzamido-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-28-22(27)18(13-14-29-2)23-21(26)19(15-16-9-5-3-6-10-16)24-20(25)17-11-7-4-8-12-17/h3-12,18-19H,13-15H2,1-2H3,(H,23,26)(H,24,25)/t18-,19-/m0/s1