tert-butyl 3-[(2S)-2-azanyl-3-methoxy-3-oxidanylidene-propyl]-4-[(E)-3-methyl-3-oxidanyl-but-1-enyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2S)-2-azanyl-3-methoxy-3-oxidanylidene-propyl]-4-[(E)-3-methyl-3-oxidanyl-but-1-enyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S)-2-amino-3-methoxy-3-oxo-propyl]-4-[(E)-3-hydroxy-3-methyl-but-1-enyl]indole-1-carboxylate CAS Name: 3-[(2S)-2-amino-3-methoxy-3-oxopropyl]-4-[(E)-3-hydroxy-3-methylbut-1-enyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2S)-2-amino-3-methoxy-3-oxopropyl]-4-[(E)-3-hydroxy-3-methylbut-1-enyl]indole-1-carboxylate Traditional Name: 3-[(2S)-2-amino-3-keto-3-methoxy-propyl]-4-[(E)-3-hydroxy-3-methyl-but-1-enyl]indole-1-carboxylic acid tert-butyl ester Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C(C=CC=C21)C=CC(C)(C)O)CC(C(=O)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C(C=CC=C21)/C=C/C(C)(C)O)C[C@@H](C(=O)OC)N

InChI

InChI=1S/C22H30N2O5/c1-21(2,3)29-20(26)24-13-15(12-16(23)19(25)28-6)18-14(8-7-9-17(18)24)10-11-22(4,5)27/h7-11,13,16,27H,12,23H2,1-6H3/b11-10+/t16-/m0/s1