(E)-1-diazonio-4-[[2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-4-[[2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]but-1-en-2-olate Openeye Name: (E)-4-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-1-diazonio-but-1-en-2-olate CAS Name: (E)-1-diazonio-4-[[2-[[3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-buten-2-olate IUPAC Name: (E)-1-diazonio-4-[[2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]but-1-en-2-olate Traditional Name: (E)-4-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-1-diazonio-but-1-en-2-olate Formula: C26H36N6O5 MolecularWeight: 512.60124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCC(=C[N+]#N)[O-])NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NCC/C(=C\[N+]#N)/[O-])NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H36N6O5/c1-16(2)12-21(23(34)28-11-10-18(33)15-30-27)31-24(35)22(32-25(36)37-26(3,4)5)13-17-14-29-20-9-7-6-8-19(17)20/h6-9,14-16,21-22,29H,10-13H2,1-5H3,(H3-,28,31,32,33,34,35,36)/b18-15+