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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(2-hydroxyethoxy)phenyl]-L-isoleucinamide

Catalog ID
STL549686
SMILES OCCOc1ccc(cc1)NC(=O)[C@H]([C@@H](CC)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C35H43N3O8 MW 633.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43N3O8/c1-7-20(2)32(35(42)37-23-9-11-24(12-10-23)46-17-16-39)38-28-15-13-25-26(19-29(28)41)27(36-21(3)40)14-8-22-18-30(43-4)33(44-5)34(45-6)31(22)25/h9-13,15,18-20,27,32,39H,7-8,14,16-17H2,1-6H3,(H,36,40)(H,37,42)(H,38,41)/t20-,27+,32+/m1/s1
InChIKey
FVUGYJUHGLDNCG-MLEOTOBYSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(2hydroxyethoxy)phenyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(2hydroxyethoxy)phenyl)3methylpentanamide
127253701
InChI=1SC35H43N3O8c1720(2)32(35(42)372391124(121023)46171639)382815132526(1929(28)41)27(3621(3)40)148221830(434)33(445)34(456)31(22)25h913151820273239H78141617H216H3(H3640)(H3742)(H3841)t2027+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(2hydroxyethoxy)phenyl)Lisoleucinamide
OCCOc1ccc(cc1)NC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
ZINC000604403957
ZINC604403957

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Available files

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