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N-{4-[(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)amino]butanoyl}-L-valine

Catalog ID
STL532866
SMILES O=C(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)NCCCC(=O)N[C@H](C(=O)O)C(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 C28H44N2O10 MW 568.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H44N2O10/c1-15(2)23(24(34)35)30-21(32)7-6-14-29-20(31)10-11-22(33)36-25-17(4)19-9-8-16(3)18-12-13-27(5)38-26(37-25)28(18,19)40-39-27/h15-19,23,25-26H,6-14H2,1-5H3,(H,29,31)(H,30,32)(H,34,35)/t16-,17-,18+,19+,23+,25-,26-,27-,28-/m1/s1
InChIKey
BGYZZUPIXBTHQV-NLCDEEIBSA-N
Synonyms
956918-58-4
(S)3methyl2(4(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)butanamido)butanoicacid
956918584
InChI=1SC28H44N2O10c115(2)23(24(34)35)3021(32)76142920(31)101122(33)362517(4)199816(3)18121327(5)3826(3725)28(1819)403927h1519232526H614H215H3(H2931)(H3032)(H3435)t161718+19+23+25262728m1s1
MFCD07637321
N(4((4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)amino)butanoyl)Lvaline
O=C(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)NCCCC(=O)N(C@H)(C(=O)O)C(C)C
ZINC000100781292

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Available files

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