tert-butyl 3-[(2S)-3-methoxy-3-oxidanylidene-2-[2-(pyridin-2-ylcarbonylamino)prop-2-enoylamino]propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2S)-3-methoxy-3-oxidanylidene-2-[2-(pyridin-2-ylcarbonylamino)prop-2-enoylamino]propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S)-3-methoxy-3-oxo-2-[2-(pyridine-2-carbonylamino)prop-2-enoylamino]propyl]indole-1-carboxylate CAS Name: 3-[(2S)-3-methoxy-3-oxo-2-[[1-oxo-2-[[oxo(2-pyridinyl)methyl]amino]prop-2-enyl]amino]propyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2S)-3-methoxy-3-oxo-2-[2-(pyridine-2-carbonylamino)prop-2-enoylamino]propyl]indole-1-carboxylate Traditional Name: 3-[(2S)-3-keto-3-methoxy-2-[(2-picolinamidoacryloyl)amino]propyl]indole-1-carboxylic acid tert-butyl ester Formula: C26H28N4O6 MolecularWeight: 492.52372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)OC)NC(=O)C(=C)NC(=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)OC)NC(=O)C(=C)NC(=O)C3=CC=CC=N3

InChI

InChI=1S/C26H28N4O6/c1-16(28-23(32)19-11-8-9-13-27-19)22(31)29-20(24(33)35-5)14-17-15-30(25(34)36-26(2,3)4)21-12-7-6-10-18(17)21/h6-13,15,20H,1,14H2,2-5H3,(H,28,32)(H,29,31)/t20-/m0/s1