tert-butyl 3-[(1S,2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanyl-3-oxidanylidene-propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(1S,2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanyl-3-oxidanylidene-propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(1S,2S)-2-(tert-butoxycarbonylamino)-1-hydroxy-3-methoxy-3-oxo-propyl]indole-1-carboxylate CAS Name: 3-[(1S,2S)-1-hydroxy-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1S,2S)-1-hydroxy-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]indole-1-carboxylate Traditional Name: 3-[(1S,2S)-2-(tert-butoxycarbonylamino)-1-hydroxy-3-keto-3-methoxy-propyl]indole-1-carboxylic acid tert-butyl ester Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(C1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]([C@H](C1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)O)C(=O)OC

InChI

InChI=1S/C22H30N2O7/c1-21(2,3)30-19(27)23-16(18(26)29-7)17(25)14-12-24(20(28)31-22(4,5)6)15-11-9-8-10-13(14)15/h8-12,16-17,25H,1-7H3,(H,23,27)/t16-,17-/m0/s1