tert-butyl 3-[(2S)-2-azanyl-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-7-bromanyl-indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2S)-2-azanyl-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-7-bromanyl-indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S)-2-amino-3-tert-butoxy-3-oxo-propyl]-7-bromo-indole-1-carboxylate CAS Name: 3-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-7-bromo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-7-bromoindole-1-carboxylate Traditional Name: 3-[(2S)-2-amino-3-tert-butoxy-3-keto-propyl]-7-bromo-indole-1-carboxylic acid tert-butyl ester Formula: C20H27BrN2O4 MolecularWeight: 439.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CN(C2=C1C=CC=C2Br)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CN(C2=C1C=CC=C2Br)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C20H27BrN2O4/c1-19(2,3)26-17(24)15(22)10-12-11-23(18(25)27-20(4,5)6)16-13(12)8-7-9-14(16)21/h7-9,11,15H,10,22H2,1-6H3/t15-/m0/s1