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3-(1,3-benzodioxol-5-yl)-3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-{4-oxo-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butyl}propanamide

Catalog ID
STL562063
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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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 C43H49N3O10 MW 767.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H49N3O10/c1-26-8-5-11-31(47)10-4-2-3-9-29-19-34(48)41(42(52)40(29)43(53)56-26)32(28-15-16-35-36(20-28)55-25-54-35)21-37(49)44-17-7-14-38(50)45-22-27-18-30(24-45)33-12-6-13-39(51)46(33)23-27/h3,6,9,12-13,15-16,19-20,26-27,30,32,48,52H,2,4-5,7-8
InChIKey
DTHDBVMDLQDGKU-NCTFDJEWSA-N
Synonyms

12A)(15)DIAZOCIN3(4H)YL)BUTYL)PROPANAMIDE
145705414
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(4oxo4((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butyl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(4oxo4((1S9R)6oxo711diazatricyclo(731027)trideca24dien11yl)butyl)propanamide
InChI=1SC43H49N3O10c126851131(47)104239291934(48)41(42(52)40(29)43(53)5626)32(2815163536(2028)55255435)2137(49)441771438(50)4522271830(2445)331261339(51)46(33)2327h369121315161920262730324852H2457810111417182125H21H3(H4449)b93+t2627+3032?m0s1
MFCD32651117
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC001848443296
ZINC001848443297

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Available files

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