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3-{(3'S,3a'R,6a'S)-5'-[4-(acetyloxy)phenyl]-1,3,4',6'-tetraoxo-1,3,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indene-2,1'-pyrrolo[3,4-c]pyrrol]-3'-yl}propanoic acid

Catalog ID
STK616733
SMILES OC(=O)CC[C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)C(=O)c1c(C2=O)cccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C25H20N2O8 MW 476.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O8/c1-12(28)35-14-8-6-13(7-9-14)27-23(33)19-17(10-11-18(29)30)26-25(20(19)24(27)34)21(31)15-4-2-3-5-16(15)22(25)32/h2-9,17,19-20,26H,10-11H2,1H3,(H,29,30)/t17-,19-,20+/m0/s1
InChIKey
FJXOYOJRCUTLAB-YSIASYRMSA-N
Synonyms
1014064-21-1
1014064211
3((1S3aS6aR)5(4acetyloxyphenyl)1346tetraoxospiro(123a6atetrahydropyrrolo(34c)pyrrole32indene)1yl)propanoicacid
3((3S3aR6aS)5(4(acetyloxy)phenyl)1346tetraoxo1333a4566aoctahydro2Hspiro(indene21pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3S3aR6aS)5(4acetoxyphenyl)1346tetraoxo1333a4566aoctahydro2Hspiro(indene21pyrrolo(34c)pyrrol)3yl)propanoicacid
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(NC4(C3C2=O)C(=O)C5=CC=CC=C5C4=O)CCC(=O)O
InChI=1SC25H20N2O8c112(28)35148613(7914)2723(33)1917(101118(29)30)2625(20(19)24(27)34)21(31)15423516(15)22(25)32h2917192026H1011H21H3(H2930)t171920+m0s1
OC(=O)CC(C@@H)1N(C@)2((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)C(=O)c1c(C2=O)cccc1
OC(=O)CC(C@@H)1NC2((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)C(=O)c1c(C2=O)cccc1
ZINC000009410305
ZINC9410305

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Available files

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