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N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)methionine

Catalog ID
STL528184
SMILES CSCCC(C(=O)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=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 C30H41NO9S MW 591.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H41NO9S/c1-28-11-8-18(32)14-17(28)4-5-19-20-9-12-30(39,29(20,2)15-22(33)26(19)28)23(34)16-40-25(36)7-6-24(35)31-21(27(37)38)10-13-41-3/h14,19-21,26,39H,4-13,15-16H2,1-3H3,(H,31,35)(H,37,38)/t19?,20?,21?,26?,28-,29-,30-/m0/s1
InChIKey
XACOXEFHYXIAPZ-VYSRARAPSA-N
Synonyms

2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)4methylsulfanylbutanoicacid
2(4(2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)4(methylthio)butanoicacid
44662669
CSCCC(C(=O)O)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(=O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
InChI=1SC30H41NO9Sc12811818(32)1417(28)45192091230(3929(202)1522(33)26(19)28)23(34)164025(36)7624(35)3121(27(37)38)1013413h1419212639H4131516H213H3(H3135)(H3738)t19?20?21?26?282930m0s1
MFCD03850006
N(4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)methionine
ZINC000253506724
ZINC000253506732

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Available files

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

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