(Q82877559)

English

N-[4-(1,3-Diimino-1,2,3,4,5,6,6a,7,8,9-decahydropyrimido[5,4-e]indolizin-8-yl)benzoyl]glutamic acid

group of stereoisomers with the chemical formula C₂₂H₂₆N₆O₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

454.19646793199985 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆N₆O₅

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based on heuristic

inferred from SMILES

canonical SMILES

N=c1[nH]c2c(c(=N)[nH]1)N1CC(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CC2

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

N=c1[nH]c2c(c(=N)[nH]1)N1CC(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CC1CC2

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C22H26N6O5/c23-19-18-15(26-22(24)27-19)6-5-14-9-13(10-28(14)18)11-1-3-12(4-2-11)20(31)25-16(21(32)33)7-8-17(29)30/h1-4,13-14,16H,5-10H2,(H,25,31)(H,29,30)(H,32,33)(H4,23,24,26,27)/t13?,14?,16-/m0/s1

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InChIKey

LCGIJUUGFUFBDH-XUJLQICISA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID001337246

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(Q82877559)

N-[4-(1,3-Diimino-1,2,3,4,5,6,6a,7,8,9-decahydropyrimido[5,4-e]indolizin-8-yl)benzoyl]glutamic acid

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