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2-hydroxy-4-{[({[(3Z,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]amino}-3,3-dimethylbutanoic acid

Catalog ID
STL541267
SMILES O=C(NCC(C(C(=O)O)O)(C)C)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C

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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 C27H42N2O6 MW 490.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42N2O6/c1-25(2,23(32)24(33)34)15-28-22(31)14-35-29-17-9-11-26(3)16(13-17)5-6-18-19-7-8-21(30)27(19,4)12-10-20(18)26/h13,18-21,23,30,32H,5-12,14-15H2,1-4H3,(H,28,31)(H,33,34)/b29-17-/t18?,19?,20?,21?,23?,26-,27-/m0/s1
InChIKey
ZNZHLTOTLDWWGW-YYZKSXGDSA-N
Synonyms

2hydroxy4((((((3Z8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)amino)33dimethylbutanoicacid
2hydroxy4((2((~(Z))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)33dimethylbutanoicacid
2hydroxy4(2(((Z)((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)33dimethylbutanoicacid
42648563
InChI=1SC27H42N2O6c125(223(32)24(33)34)152822(31)1435291791126(3)16(1317)5618197821(30)27(194)121020(18)26h131821233032H5121415H214H3(H2831)(H3334)b2917t18?19?20?21?23?2627m0s1
MFCD02925730
O=C(NCC(C(C(=O)O)O)(C)C)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2O)C)C
ZINC000036368083
ZINC000253529465

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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