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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-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-L-isoleucinamide

Catalog ID
STL542902
SMILES CC[C@H]([C@@H](C(=O)N[C@H](c1nnc2n1cccc2)CC(C)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 C38H48N6O6 MW 684.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48N6O6/c1-9-22(4)34(38(47)41-29(18-21(2)3)37-43-42-32-12-10-11-17-44(32)37)40-28-16-14-25-26(20-30(28)46)27(39-23(5)45)15-13-24-19-31(48-6)35(49-7)36(50-8)33(24)25/h10-12,14,16-17,19-22,27,29,34H,9,13,15,18H2,1-8H3,(H,39,45)(H,40,46)(H,41,47)
InChIKey
MAKGZULWDAEKEA-DETUTZJXSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((1~(S))3methyl1((124)triazolo(43a)pyridin3yl)butyl)pentanamide
(2S3R)N((S)1((124)triazolo(43a)pyridin3yl)3methylbutyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamide
110206805
CC(C@H)((C@@H)(C(=O)N(C@H)(c1nnc2n1cccc2)CC(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H48N6O6c1922(4)34(38(47)4129(1821(2)3)374342321210111744(32)37)402816142526(2030(28)46)27(3923(5)45)1513241931(486)35(497)36(508)33(24)25h10121416171922272934H9131518H218H3(H3945)(H4046)(H4147)t2227+29+34+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S)3methyl1((124)triazolo(43a)pyridin3yl)butyl)Lisoleucinamide
ZINC000253409559
ZINC253409559

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Available files

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