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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-{3-oxo-3-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propyl}propanamide

Catalog ID
STL562009
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCC(=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 C42H47N3O10 MW 753.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H47N3O10/c1-25-7-5-10-30(46)9-4-2-3-8-28-18-33(47)40(41(51)39(28)42(52)55-25)31(27-13-14-34-35(19-27)54-24-53-34)20-36(48)43-16-15-37(49)44-21-26-17-29(23-44)32-11-6-12-38(50)45(32)22-26/h3,6,8,11-14,18-19,25-26,29,31,47,51H,2,4-5,7,9-10,15-17
InChIKey
NYPLMJDOWIRPMR-HQKNUMHJSA-N
Synonyms

12A)(15)DIAZOCIN3(4H)YL)PROPYL)PROPANAMIDE
145705361
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(3oxo3((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propyl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(3oxo3((1S9R)6oxo711diazatricyclo(731027)trideca24dien11yl)propyl)propanamide
InChI=1SC42H47N3O10c125751030(46)94238281833(47)40(41(51)39(28)42(52)5525)31(2713143435(1927)54245334)2036(48)43161537(49)4421261729(2344)321161238(50)45(32)2226h36811141819252629314751H245791015172024H21H3(H4348)b83+t2526+2931?m0s1
MFCD32651063
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC001848443392
ZINC001848443393

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Available files

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