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N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)leucine

Catalog ID
STL565001
SMILES CC(CC(C(=O)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)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 C31H45NO9 MW 575.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45NO9/c1-17(2)13-22(28(38)39)32-25(36)7-8-26(37)41-16-24(35)31(40)12-10-21-20-6-5-18-14-19(33)9-11-29(18,3)27(20)23(34)15-30(21,31)4/h14,17,20-23,27,34,40H,5-13,15-16H2,1-4H3,(H,32,36)(H,38,39)/t20?,21?,22?,23?,27?,29-,30-,31-/m0/s1
InChIKey
ZVHQVQOJWRLBNC-MWGSKXKQSA-N
Synonyms

2((4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)4methylpentanoicacid
2(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)4methylpentanoicacid
44664126
CC(CC(C(=O)O)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)C
InChI=1SC31H45NO9c117(2)1322(28(38)39)3225(36)7826(37)411624(35)31(40)1210212065181419(33)91129(183)27(20)23(34)1530(2131)4h14172023273440H5131516H214H3(H3236)(H3839)t20?21?22?23?27?293031m0s1
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)leucine
ZINC000253502850
ZINC000253502856

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Available files

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

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