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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-(1-methyl-1H-benzimidazol-2-yl)ethyl]-L-leucinamide

Catalog ID
STL541685
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)NCCc1nc2c(n1C)cccc2)CC(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 C37H45N5O6 MW 655.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H45N5O6/c1-21(2)18-29(37(45)38-17-16-33-41-27-10-8-9-11-30(27)42(33)4)40-28-15-13-24-25(20-31(28)44)26(39-22(3)43)14-12-23-19-32(46-5)35(47-6)36(48-7)34(23)24/h8-11,13,15,19-21,26,29H,12,14,16-18H2,1-7H3,(H,38,45)(H,39,43)(H,40,44)/t26-,29-/m0
InChIKey
XALHCNFDLCSCHT-WNJJXGMVSA-N
Synonyms
1574294-22-6
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methyl~(N)(2(1methylbenzimidazol2yl)ethyl)pentanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylN(2(1methyl1Hbenzo(d)imidazol2yl)ethyl)pentanamide
1574294226
75492462
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)NCCc1nc2c(n1C)cccc2)CC(C)C
InChI=1SC37H45N5O6c121(2)1829(37(45)38171633412710891130(27)42(33)4)402815132425(2031(28)44)26(3922(3)43)1412231932(465)35(476)36(487)34(23)24h811131519212629H12141618H217H3(H3845)(H3943)(H4044)t2629m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(1methyl1Hbenzimidazol2yl)ethyl)Lleucinamide
ZINC000150653822
ZINC150653822

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Available files

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