methyl (2S)-2-[2-[(4-tert-butylphenyl)carbonylamino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(4-tert-butylphenyl)carbonylamino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C23H28N2O4/c1-23(2,3)18-12-10-17(11-13-18)21(27)24-15-20(26)25-19(22(28)29-4)14-16-8-6-5-7-9-16/h5-13,19H,14-15H2,1-4H3,(H,24,27)(H,25,26)/t19-/m0/s1