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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-(methylsulfanyl)-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}-3-(3,4,5-trimethoxyp

Catalog ID
STL552561
SMILES CSCCC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1cc(OC)c(c(c1)OC)OC

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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 C46H57N3O11S MW 860.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H57N3O11S/c1-27-11-9-14-32(50)13-8-6-7-12-29-20-36(51)42(43(54)41(29)46(56)60-27)33(30-21-37(57-2)44(59-4)38(22-30)58-3)23-39(52)47-34(17-18-61-5)45(55)48-24-28-19-31(26-48)35-15-10-16-40(53)49(35)25-28/h7,10,12,15-16,20-22,27-28,31,33-34,51,5
InChIKey
AICXPBVDRWTCKX-OYFUFSPXSA-N
Synonyms

(15)DIAZOCIN3(4H)YL)BUTAN2YL)3(345TRIMETHOXYP
135640776
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(4(methylsulfanyl)1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butan2yl)3(345trimethoxyp
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(4methylsulfanyl1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)butan2yl)3(345trimethoxyphenyl)propanamide
CSCC(C@@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1cc(OC)c(c(c1)OC)OC
InChI=1SC46H57N3O11Sc1271191432(50)1386712292036(51)42(43(54)41(29)46(56)6027)33(302137(572)44(594)38(2230)583)2339(52)4734(1718615)45(55)4824281931(2648)3515101640(53)49(35)2528h710121516202227283133345154H68911131417192326H215H3(H4752)b127+t2728+31
ZINC001547138195
ZINC001547204062

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Available files

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