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N~3~-{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]propanoyl}-N-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-beta-alaninamide

Catalog ID
STL561491
SMILES O=C(NCc1cc(=O)n(c(=O)n1C)C)CCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc2c(c1)OCO2

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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 C38H44N4O11 MW 732.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H44N4O11/c1-22-8-7-11-26(43)10-6-4-5-9-24-16-28(44)35(36(48)34(24)37(49)53-22)27(23-12-13-29-30(17-23)52-21-51-29)19-32(46)39-15-14-31(45)40-20-25-18-33(47)42(3)38(50)41(25)2/h5,9,12-13,16-18,22,27,44,48H,4,6-8,10-11,14-15,19-21H2,1-3H3,(H,39,
InChIKey
BGMURUVIQZHWGN-SCNJIWGRSA-N
Synonyms

145704849
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(3((13dimethyl26dioxopyrimidin4yl)methylamino)3oxopropyl)propanamide
3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(3(((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)amino)3oxopropyl)propanamide
IDIN4YL)METHYL)BETAALANINAMIDE
InChI=1SC38H44N4O11c122871126(43)106459241628(44)35(36(48)34(24)37(49)5322)27(2312132930(1723)52215129)1932(46)39151431(45)4020251833(47)42(3)38(50)41(25)2h591213161822274448H468101114151921H213H3(H3946)(H4045)b95+t2227?m0s1
MFCD32650557
N~3~(3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)propanoyl)N((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)betaalaninamide
O=C(NCc1cc(=O)n(c(=O)n1C)C)CCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1ccc2c(c1)OCO2
ZINC001848442581
ZINC001848442582

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Available files

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