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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]pyridine-4-carboxamide

Catalog ID
STL552114
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCNC(=O)c1ccncc1

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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 C36H41N3O8 MW 643.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H41N3O8/c1-23-7-6-10-27(40)9-5-3-4-8-26-21-30(41)33(34(43)32(26)36(45)47-23)29(24-11-13-28(46-2)14-12-24)22-31(42)38-19-20-39-35(44)25-15-17-37-18-16-25/h4,8,11-18,21,23,29,41,43H,3,5-7,9-10,19-20,22H2,1-2H3,(H,38,42)(H,39,44)/b8-4+/t23-,29?/m
InChIKey
NNGMNQVRFBGNPN-VYWWJLGHSA-N
Synonyms

~(N)(2((3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanoyl)amino)ethyl)pyridine4carboxamide
135640406
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCNC(=O)c1ccncc1
InChI=1SC36H41N3O8c123761027(40)95348262130(41)33(34(43)32(26)36(45)4723)29(24111328(462)141224)2231(42)3819203935(44)25151737181625h4811182123294143H357910192022H212H3(H3842)(H3944)b84+t2329?m0s1
N(2((3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanoyl)amino)ethyl)pyridine4carboxamide
N(2(3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)propanamido)ethyl)isonicotinamide
ZINC001772493000
ZINC001772493003

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Available files

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