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N-[2-({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)propanoyl}amino)ethyl]-1,3-benzothiazole-2-carboxamide

Catalog ID
STL552395
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCNC(=O)c1nc2c(s1)cccc2

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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 C38H41N3O8S MW 699.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H41N3O8S/c1-23-9-8-12-26(42)11-5-3-4-10-25-21-30(43)34(35(45)33(25)38(47)49-23)28(24-15-17-27(48-2)18-16-24)22-32(44)39-19-20-40-36(46)37-41-29-13-6-7-14-31(29)50-37/h4,6-7,10,13-18,21,23,28,43,45H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,44)(H,40
InChIKey
QQARPZBKCPLDGS-GYDWINPNSA-N
Synonyms

~(N)(2((3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanoyl)amino)ethyl)13benzothiazole2carboxamide
135640637
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCNC(=O)c1nc2c(s1)cccc2
InChI=1SC38H41N3O8Sc123981226(42)1153410252130(43)34(35(45)33(25)38(47)4923)28(24151727(482)181624)2232(44)3919204036(46)37412913671431(29)5037h4671013182123284345H35891112192022H212H3(H3944)(H4046)b104+t2328?m0s1
N(2((3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanoyl)amino)ethyl)13benzothiazole2carboxamide
N(2(3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)propanamido)ethyl)benzo(d)thiazole2carboxamide
ZINC001772493021
ZINC001772493022

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Available files

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