methyl (4S)-4-[[(3R)-3-acetamido-4-phenyl-butanoyl]amino]-5-methyl-2-oxidanylidene-hexanoate

Systemtic Name: methyl (4S)-4-[[(3R)-3-acetamido-4-phenyl-butanoyl]amino]-5-methyl-2-oxidanylidene-hexanoate Openeye Name: methyl (4S)-4-[[(3R)-3-acetamido-4-phenyl-butanoyl]amino]-5-methyl-2-oxo-hexanoate CAS Name: (4S)-4-[[(3R)-3-acetamido-1-oxo-4-phenylbutyl]amino]-5-methyl-2-oxohexanoic acid methyl ester IUPAC Name: methyl (4S)-4-[[(3R)-3-acetamido-4-phenylbutanoyl]amino]-5-methyl-2-oxohexanoate Traditional Name: (4S)-4-[[(3R)-3-acetamido-4-phenyl-butanoyl]amino]-2-keto-5-methyl-hexanoic acid methyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5/c1-13(2)17(12-18(24)20(26)27-4)22-19(25)11-16(21-14(3)23)10-15-8-6-5-7-9-15/h5-9,13,16-17H,10-12H2,1-4H3,(H,21,23)(H,22,25)/t16-,17+/m1/s1