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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-(2-methoxyethyl)-1H-indol-4-yl]-L-isoleucinamide

Catalog ID
STL541079
SMILES COCCn1ccc2c1cccc2NC(=O)[C@H]([C@@H](CC)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C38H46N4O7 MW 670.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O7/c1-8-22(2)35(38(45)41-28-10-9-11-31-26(28)16-17-42(31)18-19-46-4)40-30-15-13-25-27(21-32(30)44)29(39-23(3)43)14-12-24-20-33(47-5)36(48-6)37(49-7)34(24)25/h9-11,13,15-17,20-22,29,35H,8,12,14,18-19H2,1-7H3,(H,39,43)(H,40,44)(H,41,45)/t22
InChIKey
GCBVXZZXAXHTPN-FMPQITIBSA-N
Synonyms
1574346-67-0
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1(2methoxyethyl)indol4yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1(2methoxyethyl)1Hindol4yl)3methylpentanamide
1574346670
75492286
COCCn1ccc2c1cccc2NC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H46N4O7c1822(2)35(38(45)4128109113126(28)161742(31)1819464)403015132527(2132(30)44)29(3923(3)43)1412242033(475)36(486)37(497)34(24)25h91113151720222935H812141819H217H3(H3943)(H4044)(H4145)t2229+35+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1(2methoxyethyl)1Hindol4yl)Lisoleucinamide
ZINC000150653730
ZINC150653730

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Available files

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