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6-[2-[6-(2-azanylethylamino)hexylamino]ethylamino]-2-butyl-benzo[de]isoquinoline-1,3-dione
6-[2-[6-(2-azanylethylamino)hexylamino]ethylamino]-2-butyl-benzo[de]isoquinoline-1,3-dione
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Descriptors Computed from Structure
Canonical SMILES:
CCCCN1C(=O)C2=C3C(=C(C=C2)NCCNCCCCCCNCCN)C=CC=C3C1=O
Isomeric SMILES
CCCCN1C(=O)C2=C3C(=C(C=C2)NCCNCCCCCCNCCN)C=CC=C3C1=O
InChI
InChI=1S/C26H39N5O2/c1-2-3-19-31-25(32)21-10-8-9-20-23(12-11-22(24(20)21)26(31)33)30-18-17-29-15-7-5-4-6-14-28-16-13-27/h8-12,28-30H,2-7,13-19,27H2,1H3
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- tert-butyl 4-acetamido-5-[[1-[[1-[[1-[2-[[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-5-methyl-1-oxidanylidene-hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-[(2-methylpropan-2-yl)oxy]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoate
- 7-[[2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-methylimino-ethanoyl]amino]-3-[(1-ethylimidazo[4,5-b]pyridin-4-ium-4-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 7-[[2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-methylimino-ethanoyl]amino]-3-[[1-[3-(2-hydroxyethylamino)propyl]imidazo[4,5-b]pyridin-4-ium-4-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- tert-butyl 4-acetamido-5-[[1-[[1-[[1-[2-[[1,2-bis(oxidanylidene)-1-[[2-oxidanylidene-2-(prop-2-enylamino)ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-[(2-methylpropan-2-yl)oxy]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoate
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- tert-butyl 4-acetamido-5-[[1-[[1-[[1-[2-[[1,2-bis(oxidanylidene)-1-[(2-oxidanylidene-2-prop-2-enoxy-ethyl)amino]hexan-3-yl]carbamoyl]-4-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-[(2-methylpropan-2-yl)oxy]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoate
