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N-(4-oxo-4-{[(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)-L-leucyl-L-serine

Catalog ID
STL553302
SMILES OC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3)CC(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 C28H44N2O11 MW 584.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H44N2O11/c1-14(2)12-19(23(34)30-20(13-31)24(35)36)29-21(32)8-9-22(33)37-25-16(4)18-7-6-15(3)17-10-11-27(5)39-26(38-25)28(17,18)41-40-27/h14-20,25-26,31H,6-13H2,1-5H3,(H,29,32)(H,30,34)(H,35,36)/t15-,16-,17+,18+,19+,20+,25-,26-,27+,28-/m1/s1
InChIKey
GHGZDUSLGDDFQF-CQFMBXSDSA-N
Synonyms
1491161-19-3
(2~(S))3hydroxy2(((2~(S))4methyl2((4oxo4(((1~(S)4~(S)5~(R)8~(S)9~(R)10~(S)12~(R)13~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)pentanoyl)amino)propanoicacid
(S)3hydroxy2((S)4methyl2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)pentanamido)propanoicacid
1491161193
16406187
InChI=1SC28H44N2O11c114(2)1219(23(34)3020(1331)24(35)36)2921(32)8922(33)372516(4)187615(3)17101127(5)3926(3825)28(1718)414027h1420252631H613H215H3(H2932)(H3034)(H3536)t151617+18+19+20+252627+28m1s1
N(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)LleucylLserine
OC(C@@H)(C(=O)O)NC(=O)(C@@H)(NC(=O)CCC(=O)O(C@@H)1O(C@@H)2O(C@)3(C)CC(C@@H)4(C@)2((C@H)((C@H)1C)CC(C@H)4C)OO3)CC(C)C
ZINC000100782110
ZINC100782110

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Available files

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