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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-(2-phenylethyl)-L-isoleucinamide

Catalog ID
STL542123
SMILES CC[C@H]([C@@H](C(=O)NCCc1ccccc1)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 C35H43N3O6 MW 601.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43N3O6/c1-7-21(2)32(35(41)36-18-17-23-11-9-8-10-12-23)38-28-16-14-25-26(20-29(28)40)27(37-22(3)39)15-13-24-19-30(42-4)33(43-5)34(44-6)31(24)25/h8-12,14,16,19-21,27,32H,7,13,15,17-18H2,1-6H3,(H,36,41)(H,37,39)(H,38,40)/t21-,27+,32+/m1/s1
InChIKey
BLOMCTUQTHJHSF-BBQOZMKKSA-N
Synonyms
1574398-41-6
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2phenylethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylNphenethylpentanamide
1574398416
75491431
CC(C@H)((C@@H)(C(=O)NCCc1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H43N3O6c1721(2)32(35(41)361817231198101223)382816142526(2029(28)40)27(3722(3)39)1513241930(424)33(435)34(446)31(24)25h812141619212732H713151718H216H3(H3641)(H3739)(H3840)t2127+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2phenylethyl)Lisoleucinamide
ZINC000108448648
ZINC108448648

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Available files

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

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