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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-phenyl-1H-tetrazol-5-yl)methyl]-L-isoleucinamide

Catalog ID
STL547550
SMILES CC[C@H]([C@@H](C(=O)NCc1nnnn1c1ccccc1)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 C35H41N7O6 MW 655.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N7O6/c1-7-20(2)32(35(45)36-19-30-39-40-41-42(30)23-11-9-8-10-12-23)38-27-16-14-24-25(18-28(27)44)26(37-21(3)43)15-13-22-17-29(46-4)33(47-5)34(48-6)31(22)24/h8-12,14,16-18,20,26,32H,7,13,15,19H2,1-6H3,(H,36,45)(H,37,43)(H,38,44)/t20-,26+,32+
InChIKey
MBCPNJDRPRVRRT-YARCDQIQSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((1phenyltetrazol5yl)methyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN((1phenyl1Htetrazol5yl)methyl)pentanamide
110206149
CC(C@H)((C@@H)(C(=O)NCc1nnnn1c1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H41N7O6c1720(2)32(35(45)36193039404142(30)231198101223)382716142425(1828(27)44)26(3721(3)43)1513221729(464)33(475)34(486)31(22)24h812141618202632H7131519H216H3(H3645)(H3743)(H3844)t2026+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1phenyl1Htetrazol5yl)methyl)Lisoleucinamide
ZINC000253409573
ZINC253409573

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Available files

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