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

Catalog ID
STL561850
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)N[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)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 C44H51N3O10 MW 781.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H51N3O10/c1-25(2)41(43(53)46-21-27-17-30(23-46)33-13-8-14-38(51)47(33)22-27)45-37(50)20-32(28-15-16-35-36(19-28)56-24-55-35)40-34(49)18-29-10-5-4-6-11-31(48)12-7-9-26(3)57-44(54)39(29)42(40)52/h5,8,10,13-16,18-19,25-27,30,32,41,49,52H,4,6-7,9,
InChIKey
HBKOQEDCNMWGDI-GXSYQSQDSA-N
Synonyms

145705204
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N((2S)3methyl1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butan2yl)p
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N((2S)3methyl1oxo1((1S9R)6oxo711diazatricyclo(731027)trideca24dien11yl)butan2yl)propanamide
InChI=1SC44H51N3O10c125(2)41(43(53)4621271730(2346)331381438(51)47(33)2227)4537(50)2032(2815163536(1928)56245535)4034(49)1829105461131(48)127926(3)5744(54)39(29)42(40)52h58101316181925273032414952H46791112172024H213H3(H4550)b105+t2627+3032?41m0s1
MFCD32650911
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)N(C@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C(C)C
ZINC001848442721
ZINC001848442722

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Available files

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