propan-2-yl (2S)-2-[(3,5-ditert-butylphenyl)carbonylamino]-3-(3-methylimidazol-4-yl)propanoate

Systemtic Name: propan-2-yl (2S)-2-[(3,5-ditert-butylphenyl)carbonylamino]-3-(3-methylimidazol-4-yl)propanoate Openeye Name: isopropyl (2S)-2-[(3,5-ditert-butylbenzoyl)amino]-3-(3-methylimidazol-4-yl)propanoate CAS Name: (2S)-2-[[(3,5-ditert-butylphenyl)-oxomethyl]amino]-3-(3-methyl-4-imidazolyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-[(3,5-ditert-butylbenzoyl)amino]-3-(3-methylimidazol-4-yl)propanoate Traditional Name: (2S)-2-[(3,5-ditert-butylbenzoyl)amino]-3-(3-methylimidazol-4-yl)propionic acid isopropyl ester Formula: C25H37N3O3 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CN=CN1C)NC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)OC(=O)[C@H](CC1=CN=CN1C)NC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C25H37N3O3/c1-16(2)31-23(30)21(13-20-14-26-15-28(20)9)27-22(29)17-10-18(24(3,4)5)12-19(11-17)25(6,7)8/h10-12,14-16,21H,13H2,1-9H3,(H,27,29)/t21-/m0/s1