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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-(1-phenylethyl)-L-isoleucinamide

Catalog ID
STL541068
SMILES CC[C@H]([C@@H](C(=O)NC(c1ccccc1)C)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/c1-8-20(2)32(35(41)36-21(3)23-12-10-9-11-13-23)38-28-17-15-25-26(19-29(28)40)27(37-22(4)39)16-14-24-18-30(42-5)33(43-6)34(44-7)31(24)25/h9-13,15,17-21,27,32H,8,14,16H2,1-7H3,(H,36,41)(H,37,39)(H,38,40)/t20-,21?,27+,32+/m1/s1
InChIKey
UNRIGWVVNLVOTF-NAHSLIEMSA-N
Synonyms
1574252-73-5
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(1phenylethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(1phenylethyl)pentanamide
1574252735
75491153
CC(C@H)((C@@H)(C(=O)NC(c1ccccc1)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H43N3O6c1820(2)32(35(41)3621(3)2312109111323)382817152526(1929(28)40)27(3722(4)39)1614241830(425)33(436)34(447)31(24)25h9131517212732H81416H217H3(H3641)(H3739)(H3840)t2021?27+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1phenylethyl)Lisoleucinamide
ZINC000108447843
ZINC000108447846

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Available files

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