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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}-L-alaninamide

Catalog ID
STL552115
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)N[C@H](C(=O)N)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 C31H38N2O8 MW 566.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O8/c1-18-8-7-11-22(34)10-6-4-5-9-21-16-25(35)28(29(37)27(21)31(39)41-18)24(17-26(36)33-19(2)30(32)38)20-12-14-23(40-3)15-13-20/h5,9,12-16,18-19,24,35,37H,4,6-8,10-11,17H2,1-3H3,(H2,32,38)(H,33,36)/b9-5+/t18-,19-,24?/m0/s1
InChIKey
RRKUMEMFJPDXTL-RBJZJNJRSA-N
Synonyms

~(N)((2~(S))1amino1oxopropan2yl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanamide
135640407
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@H)(C(=O)N)C
InChI=1SC31H38N2O8c118871122(34)106459211625(35)28(29(37)27(21)31(39)4118)24(1726(36)3319(2)30(32)38)20121423(403)151320h5912161819243537H468101117H213H3(H23238)(H3336)b95+t181924?m0s1
N((S)1amino1oxopropan2yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
N~2~(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanoyl)Lalaninamide
ZINC001772493032
ZINC001772493036

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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