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CHEBI:41551 - N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID

Default Structure
ChEBI IDCHEBI:41551
ChEBI NameN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H27N9O6
Net Charge0
Average Mass573.570
Monoisotopic Mass573.20843
SMILES[H]OC(=O)c1c([H])c([H])c([H])c([H])c1C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])C(=O)c1c([H])c([H])c(N([H])C([H])([H])c2nc3c(N([H])[H])nc(N([H])[H])nc3nc2[H])c([H])c1[H]
InChIInChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36)/t19-/m0/s1
InChIKeyNYQPLPNEESYGNO-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID (CHEBI:41551) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{[(4S)-4-carboxy-4-{[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]amino}butyl]carbamoyl}benzoic acidPDBeChem
N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACIDPDBeChem
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