[(2S)-oxolan-2-yl]methyl 2-azanyl-1-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: [(2S)-oxolan-2-yl]methyl 2-azanyl-1-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: [(2S)-tetrahydrofuran-2-yl]methyl 2-amino-1-isopentyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3-methylbutyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid [(2S)-2-oxolanyl]methyl ester IUPAC Name: [(2S)-oxolan-2-yl]methyl 2-amino-1-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-isoamyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid [(2S)-tetrahydrofuran-2-yl]methyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC4CCCO4)N

Isomeric SMILES

CC(C)CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OC[C@@H]4CCCO4)N

InChI

InChI=1S/C21H26N4O3/c1-13(2)9-10-25-19(22)17(21(26)28-12-14-6-5-11-27-14)18-20(25)24-16-8-4-3-7-15(16)23-18/h3-4,7-8,13-14H,5-6,9-12,22H2,1-2H3/t14-/m0/s1