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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-(2-methyl-1H-indol-1-yl)ethyl]-L-isoleucinamide

Catalog ID
STL549740
SMILES CC[C@H]([C@@H](C(=O)NCCn1c(C)cc2c1cccc2)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 C38H46N4O6 MW 654.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O6/c1-8-22(2)35(38(45)39-17-18-42-23(3)19-25-11-9-10-12-31(25)42)41-30-16-14-27-28(21-32(30)44)29(40-24(4)43)15-13-26-20-33(46-5)36(47-6)37(48-7)34(26)27/h9-12,14,16,19-22,29,35H,8,13,15,17-18H2,1-7H3,(H,39,45)(H,40,43)(H,41,44)/t22-,29+,
InChIKey
PHLZLIKABVIKOB-FMPQITIBSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2(2methylindol1yl)ethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2(2methyl1Hindol1yl)ethyl)pentanamide
127253753
CC(C@H)((C@@H)(C(=O)NCCn1c(C)cc2c1cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H46N4O6c1822(2)35(38(45)3917184223(3)1925119101231(25)42)413016142728(2132(30)44)29(4024(4)43)1513262033(465)36(476)37(487)34(26)27h912141619222935H813151718H217H3(H3945)(H4043)(H4144)t2229+35+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(2methyl1Hindol1yl)ethyl)Lisoleucinamide
ZINC000604404547
ZINC604404547

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Available files

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