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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-(furan-2-ylmethyl)-L-isoleucinamide

Catalog ID
STL541782
SMILES CC[C@H]([C@@H](C(=O)NCc1ccco1)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 C32H39N3O7 MW 577.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39N3O7/c1-7-18(2)29(32(38)33-17-21-9-8-14-42-21)35-25-13-11-22-23(16-26(25)37)24(34-19(3)36)12-10-20-15-27(39-4)30(40-5)31(41-6)28(20)22/h8-9,11,13-16,18,24,29H,7,10,12,17H2,1-6H3,(H,33,38)(H,34,36)(H,35,37)/t18-,24+,29+/m1/s1
InChIKey
AECNLIPNJZXTNL-MQUZVZANSA-N
Synonyms
1574394-20-9
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(furan2ylmethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(furan2ylmethyl)3methylpentanamide
1574394209
75491573
CC(C@H)((C@@H)(C(=O)NCc1ccco1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC32H39N3O7c1718(2)29(32(38)33172198144221)352513112223(1626(25)37)24(3419(3)36)1210201527(394)30(405)31(416)28(20)22h89111316182429H7101217H216H3(H3338)(H3436)(H3537)t1824+29+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(furan2ylmethyl)Lisoleucinamide
ZINC000108448980
ZINC108448980

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Available files

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

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