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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-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]-L-isoleucinamide

Catalog ID
STL550949
SMILES COc1ccc2c(c1)[nH]cc2c1csc(n1)NC(=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 C39H43N5O7S MW 725.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H43N5O7S/c1-8-20(2)35(38(47)44-39-43-31(19-52-39)27-18-40-30-16-23(48-4)10-11-24(27)30)42-29-14-12-25-26(17-32(29)46)28(41-21(3)45)13-9-22-15-33(49-5)36(50-6)37(51-7)34(22)25/h10-12,14-20,28,35,40H,8-9,13H2,1-7H3,(H,41,45)(H,42,46)(H,43,44,47)
InChIKey
HSODGZGLEBHYTE-YUICIVLZSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(6methoxy1~(H)indol3yl)13thiazol2yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(6methoxy1Hindol3yl)thiazol2yl)3methylpentanamide
127252948
COc1ccc2c(c1)(nH)cc2c1csc(n1)NC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC39H43N5O7Sc1820(2)35(38(47)44394331(195239)271840301623(484)101124(27)30)422914122526(1732(29)46)28(4121(3)45)139221533(495)36(506)37(517)34(22)25h10121420283540H8913H217H3(H4145)(H4246)(H434447)t2028+35+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(6methoxy1Hindol3yl)13thiazol2yl)Lisoleucinamide
ZINC000604404484
ZINC604404484

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Available files

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