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

Systemtic Name: tert-butyl 3-[(2S)-3-methoxy-3-oxidanylidene-2-[2-(pyrazin-2-ylcarbonylamino)prop-2-enoylamino]propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S)-3-methoxy-3-oxo-2-[2-(pyrazine-2-carbonylamino)prop-2-enoylamino]propyl]indole-1-carboxylate CAS Name: 3-[(2S)-3-methoxy-3-oxo-2-[[1-oxo-2-[[oxo(2-pyrazinyl)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-(pyrazine-2-carbonylamino)prop-2-enoylamino]propyl]indole-1-carboxylate Traditional Name: 3-[(2S)-3-keto-3-methoxy-2-[[2-(pyrazinoylamino)acryloyl]amino]propyl]indole-1-carboxylic acid tert-butyl ester Formula: C25H27N5O6 MolecularWeight: 493.51178

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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=NC=CN=C3

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=NC=CN=C3

InChI

InChI=1S/C25H27N5O6/c1-15(28-22(32)19-13-26-10-11-27-19)21(31)29-18(23(33)35-5)12-16-14-30(24(34)36-25(2,3)4)20-9-7-6-8-17(16)20/h6-11,13-14,18H,1,12H2,2-5H3,(H,28,32)(H,29,31)/t18-/m0/s1