ethyl 2-[[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]-[(5-phenyl-1H-pyrrol-2-yl)carbonyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]-[(5-phenyl-1H-pyrrol-2-yl)carbonyl]amino]ethanoate Openeye Name: ethyl 2-[[(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]-(5-phenyl-1H-pyrrole-2-carbonyl)amino]acetate CAS Name: 2-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-[oxo-(5-phenyl-1H-pyrrol-2-yl)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-(5-phenyl-1H-pyrrole-2-carbonyl)amino]acetate Traditional Name: 2-[[(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl]-(5-phenyl-1H-pyrrole-2-carbonyl)amino]acetic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C(C)C(=O)NC(C)(C)C)C(=O)C1=CC=C(N1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CN([C@H](C)C(=O)NC(C)(C)C)C(=O)C1=CC=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C22H29N3O4/c1-6-29-19(26)14-25(15(2)20(27)24-22(3,4)5)21(28)18-13-12-17(23-18)16-10-8-7-9-11-16/h7-13,15,23H,6,14H2,1-5H3,(H,24,27)/t15-/m1/s1