6-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid (Q27209004)

UPCMLD00WMAL2-13 (English)

11 October 2016

chemical formula

C₂₅H₂₇N₃O₇

1 reference

UPCMLD00WMAL2-13 (English)

11 October 2016

canonical SMILES

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

1 reference

UPCMLD00WMAL2-13 (English)

InChI=1S/C25H27N3O7/c1-17-22(24(31)35-16-18-8-4-2-5-9-18)23(19-11-13-20(14-12-19)28(33)34)26-25(32)27(17)15-7-3-6-10-21(29)30/h2,4-5,8-9,11-14,23H,3,6-7,10,15-16H2,1H3,(H,26,32)(H,29,30)

11 October 2016

Identifiers

InChI

1 reference

UPCMLD00WMAL2-13 (English)

RQTQCYHOOHOASI-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

UPCMLD00WMAL2-13 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-{5-[(Benzyloxy)carbonyl]-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl}hexanoic acid (English)

11 October 2016

1 reference

UPCMLD00WMAL2-13 (English)

11 October 2016

ChEBI ID

120859

mapping relation type

1 reference

6-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid (English)

11 October 2016

1 reference