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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-{2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl}-3-(4-methoxyphenyl)propanamide

Catalog ID
STL552304
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC(c1c[nH]c2c1cccc2)c1ccc(cc1)N(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 C46H51N3O7 MW 757.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H51N3O7/c1-29-11-10-14-34(50)13-7-5-6-12-32-25-41(51)44(45(53)43(32)46(54)56-29)37(30-19-23-35(55-4)24-20-30)26-42(52)48-27-38(31-17-21-33(22-18-31)49(2)3)39-28-47-40-16-9-8-15-36(39)40/h6,8-9,12,15-25,28-29,37-38,47,51,53H,5,7,10-11,13-14,26-
InChIKey
XCPNCDTVBDQECY-NPAVNSNWSA-N
Synonyms

135640561
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(4(dimethylamino)phenyl)2(1Hindol3yl)ethyl)3(4methoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(4(dimethylamino)phenyl)2(1~(H)indol3yl)ethyl)3(4methoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(4(dimethylamino)phenyl)2(1Hindol3yl)ethyl)3(4methoxyphenyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCC(c1c(nH)c2c1cccc2)c1ccc(cc1)N(C)C
InChI=1SC46H51N3O7c12911101434(50)1375612322541(51)44(45(53)43(32)46(54)5629)37(30192335(554)242030)2642(52)482738(31172133(221831)49(2)3)3928474016981536(39)40h68912152528293738475153H57101113142627H214H3(H4852)b126+t2937?38?m0s1
ZINC001772493059
ZINC001772493062

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Available files

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