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N-{6-[(4-{[(9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]hexanoyl}isoleucine

Catalog ID
STL007740
SMILES CCC(C(C(=O)O)NC(=O)CCCCCNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1[C@H]2CCC2=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 C37H56N2O9 MW 672.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H56N2O9/c1-5-23(2)33(34(45)46)39-31(43)9-7-6-8-20-38-30(42)12-13-32(44)48-22-29(41)37(47)19-16-28-26-11-10-24-21-25(40)14-17-35(24,3)27(26)15-18-36(28,37)4/h21,23,26-28,33,47H,5-20,22H2,1-4H3,(H,38,42)(H,39,43)(H,45,46)/t23?,26-,27?,28?,33?,35
InChIKey
LFFCPHDFCYRTQF-GGBHMJIDSA-N
Synonyms

2(6((4(2((8R10R13S17R)17hydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)hexanoylamino)3methylpentanoicacid
2(6(4(2((8R10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)hexanamido)3methylpentanoicacid
CCC(C(C(=O)O)NC(=O)CCCCCNC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1(C@H)2CCC2=CC(=O)CC(C@)12C)C
CCC(C)C(C(=O)O)NC(=O)CCCCCNC(=O)CCC(=O)OCC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O
InChI=1SC37H56N2O9c1523(2)33(34(45)46)3931(43)9768203830(42)121332(44)482229(41)37(47)191628261110242125(40)141735(243)27(26)151836(2837)4h212326283347H52022H214H3(H3842)(H3943)(H4546)t23?2627?28?33?35+36+37+m1s1
MFCD06768163
N(6((4(((9XI14XI)17HYDROXY320DIOXOPREGN4EN21YL)OXY)4OXOBUTANOYL)AMINO)HEXANOYL)ISOLEUCINE
ZINC000079221710
ZINC000253501836

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Available files

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