[(3S)-3-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-2-oxidanylidene-butyl] 2,4,6-trimethylbenzoate

Systemtic Name: [(3S)-3-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-2-oxidanylidene-butyl] 2,4,6-trimethylbenzoate Openeye Name: [(3S)-3-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-2-oxo-butyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [(3S)-3-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-2-oxobutyl] ester IUPAC Name: [(3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-oxobutyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [(3S)-3-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-2-keto-butyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)C(C)NC(=O)C(CC2=CC=CC=C2)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)[C@H](C)NC(=O)[C@H](CC2=CC=CC=C2)N)C

InChI

InChI=1S/C23H28N2O4/c1-14-10-15(2)21(16(3)11-14)23(28)29-13-20(26)17(4)25-22(27)19(24)12-18-8-6-5-7-9-18/h5-11,17,19H,12-13,24H2,1-4H3,(H,25,27)/t17-,19-/m0/s1