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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-chloro-2-oxo-2,3-dihydro-1H-indol-5-yl)-1,3-thiazol-2-yl]-L-isoleucinamide

Catalog ID
STL549948
SMILES CC[C@H]([C@@H](C(=O)Nc1scc(n1)c1cc2CC(=O)Nc2cc1Cl)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 C38H40ClN5O7S MW 746.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H40ClN5O7S/c1-7-18(2)34(37(48)44-38-43-29(17-52-38)24-12-21-14-32(47)41-28(21)16-25(24)39)42-27-11-9-22-23(15-30(27)46)26(40-19(3)45)10-8-20-13-31(49-4)35(50-5)36(51-6)33(20)22/h9,11-13,15-18,26,34H,7-8,10,14H2,1-6H3,(H,40,45)(H,41,47)(H,42,46
InChIKey
LSUJJIXCYONWJU-PZTXKZFSSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(6chloro2oxo13dihydroindol5yl)13thiazol2yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(6chloro2oxoindolin5yl)thiazol2yl)3methylpentanamide
127252525
CC(C@H)((C@@H)(C(=O)Nc1scc(n1)c1cc2CC(=O)Nc2cc1Cl)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H40ClN5O7Sc1718(2)34(37(48)44384329(175238)2412211432(47)4128(21)1625(24)39)42271192223(1530(27)46)26(4019(3)45)108201331(494)35(505)36(516)33(20)22h9111315182634H781014H216H3(H4045)(H4147)(H4246)(H434448)t1826+34+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(6chloro2oxo23dihydro1Hindol5yl)13thiazol2yl)Lisoleucinamide
ZINC000604404915
ZINC604404915

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Available files

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