methyl (2R)-2-[[(2S)-3-methyl-2-(2-phenylethanoylamino)butanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[(2S)-3-methyl-2-(2-phenylethanoylamino)butanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2S)-3-methyl-1-oxo-2-[(1-oxo-2-phenylethyl)amino]butyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCSC)C(=O)OC)NC(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@H](CCSC)C(=O)OC)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C19H28N2O4S/c1-13(2)17(21-16(22)12-14-8-6-5-7-9-14)18(23)20-15(10-11-26-4)19(24)25-3/h5-9,13,15,17H,10-12H2,1-4H3,(H,20,23)(H,21,22)/t15-,17+/m1/s1