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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-phenylalanine

Catalog ID
STL529978
SMILES CC(C[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)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)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 C34H48N2O10 MW 644.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H48N2O10/c1-19(2)17-25(29(39)36-26(30(40)41)18-22-9-7-6-8-10-22)35-27(37)13-14-28(38)42-31-21(4)24-12-11-20(3)23-15-16-33(5)44-32(43-31)34(23,24)46-45-33/h6-10,19-21,23-26,31-32H,11-18H2,1-5H3,(H,35,37)(H,36,39)(H,40,41)/t20-,21-,23+,24+,25+,2
InChIKey
GGBWFLFPAPYDCR-UGRSRQFKSA-N
Synonyms
957030-45-4
(S)2((S)4methyl2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)pentanamido)3phenylpropanoicacid
957030454
CC(C(C@@H)(C(=O)N(C@H)(C(=O)O)Cc1ccccc1)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)C
InChI=1SC34H48N2O10c119(2)1725(29(39)3626(30(40)41)182297681022)3527(37)131428(38)423121(4)24121120(3)23151633(5)4432(4331)34(2324)464533h610192123263132H1118H215H3(H3537)(H3639)(H4041)t202123+24+25+26+31323334m1s1
MFCD07636958
N(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)LleucylLphenylalanine
ZINC000150361034

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Available files

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