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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]-3-(4-methoxyphenyl)-N-{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}propanamide

Catalog ID
STL552380
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NC(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 C44H53N3O9 MW 767.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H53N3O9/c1-26(2)41(43(53)46-23-28-20-31(25-46)35-14-9-15-38(51)47(35)24-28)45-37(50)22-34(29-16-18-33(55-4)19-17-29)40-36(49)21-30-11-6-5-7-12-32(48)13-8-10-27(3)56-44(54)39(30)42(40)52/h6,9,11,14-19,21,26-28,31,34,41,49,52H,5,7-8,10,12-13,20,
InChIKey
RGTBPGOHVCQGRP-YVIVTJKLSA-N
Synonyms

135640625
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)N(3methyl1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butan2yl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)~(N)(3methyl1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)butan2yl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C(C)C
IDO(12A)(15)DIAZOCIN3(4H)YL)BUTAN2YL)PROPANAMIDE
InChI=1SC44H53N3O9c126(2)41(43(53)4623282031(2546)351491538(51)47(35)2428)4537(50)2234(29161833(554)191729)4036(49)2130116571232(48)1381027(3)5644(54)39(30)42(40)52h691114192126283134414952H578101213202225H214H3(H4550)b116+t2728+3134?41?m0s1
ZINC001547208867
ZINC001547208870

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Available files

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