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

Systemtic Name: butyl (2S)-2-[(3,5-ditert-butylphenyl)carbonylamino]-3-(3-methylimidazol-4-yl)propanoate Openeye Name: butyl (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 butyl ester IUPAC Name: butyl (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 butyl ester Formula: C26H39N3O3 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O3/c1-9-10-11-32-24(31)22(15-21-16-27-17-29(21)8)28-23(30)18-12-19(25(2,3)4)14-20(13-18)26(5,6)7/h12-14,16-17,22H,9-11,15H2,1-8H3,(H,28,30)/t22-/m0/s1