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{1-[({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucyl}amino)methyl]cyclohexyl}acetic acid

Catalog ID
STL543107
SMILES CC[C@@H]([C@@H](C(=O)NCC1(CCCCC1)CC(=O)O)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C36H49N3O8 MW 651.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H49N3O8/c1-7-21(2)32(35(44)37-20-36(19-30(42)43)15-9-8-10-16-36)39-27-14-12-24-25(18-28(27)41)26(38-22(3)40)13-11-23-17-29(45-4)33(46-5)34(47-6)31(23)24/h12,14,17-18,21,26,32H,7-11,13,15-16,19-20H2,1-6H3,(H,37,44)(H,38,40)(H,39,41)(H,42,43)/t2
InChIKey
DDQSHHCRRCNHJU-FGRNRXQTSA-N
Synonyms

(1(((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucyl)amino)methyl)cyclohexyl)aceticacid
110206486
2(1((((2~(S)3~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)methyl)cyclohexyl)aceticacid
2(1(((2S3S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamido)methyl)cyclohexyl)aceticacid
CC(C@@H)((C@@H)(C(=O)NCC1(CCCCC1)CC(=O)O)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H49N3O8c1721(2)32(35(44)372036(1930(42)43)1598101636)392714122425(1828(27)41)26(3822(3)40)1311231729(454)33(465)34(476)31(23)24h12141718212632H7111315161920H216H3(H3744)(H3840)(H3941)(H4243)t212632m0s1
ZINC000253399634
ZINC253399634

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Available files

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