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beta-hydroxy-N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-3-nitrophenylalanine

Catalog ID
STL529073
SMILES O=C(NC(C(c1cccc(c1)[N+](=O)[O-])O)C(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

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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 C34H42N2O11 MW 654.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H42N2O11/c1-32-13-10-22(37)17-20(32)6-7-23-24(32)11-14-33(2)25(23)12-15-34(33,44)26(38)18-47-28(40)9-8-27(39)35-29(31(42)43)30(41)19-4-3-5-21(16-19)36(45)46/h3-5,16-17,23-25,29-30,41,44H,6-15,18H2,1-2H3,(H,35,39)(H,42,43)/t23?,24?,25?,29?,30?,
InChIKey
KMHGOCJVRMQKTB-IAEFFRONSA-N
Synonyms

3hydroxy2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3(3nitrophenyl)propanoicacid
3hydroxy2(4(2((10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3(3nitrophenyl)propanoicacid
44662672
betahydroxyN(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)3nitrophenylalanine
InChI=1SC34H42N2O11c132131022(37)1720(32)672324(32)111433(2)25(23)121534(3344)26(38)184728(40)9827(39)3529(31(42)43)30(41)1943521(1619)36(45)46h351617232529304144H61518H212H3(H3539)(H4243)t23?24?25?29?30?323334m0s1
MFCD03267043
O=C(NC(C(c1cccc(c1)(N+)(=O)(O))O)C(=O)O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000253505461
ZINC000253505472

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Available files

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