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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-[3-(1,1-dioxido-1,2-thiazinan-2-yl)-4-methoxyphenyl]-L-isoleucinamide

Catalog ID
STL546501
SMILES CC[C@H]([C@@H](C(=O)Nc1ccc(c(c1)N1CCCCS1(=O)=O)OC)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 C38H48N4O9S MW 736.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48N4O9S/c1-8-22(2)35(38(45)40-25-12-16-32(48-4)30(20-25)42-17-9-10-18-52(42,46)47)41-29-15-13-26-27(21-31(29)44)28(39-23(3)43)14-11-24-19-33(49-5)36(50-6)37(51-7)34(24)26/h12-13,15-16,19-22,28,35H,8-11,14,17-18H2,1-7H3,(H,39,43)(H,40,45)(H,41
InChIKey
POIQJZJUZYODFZ-KEOAVVEJSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(11dioxothiazinan2yl)4methoxyphenyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(11dioxido12thiazinan2yl)4methoxyphenyl)3methylpentanamide
121542043
CC(C@H)((C@@H)(C(=O)Nc1ccc(c(c1)N1CCCCS1(=O)=O)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H48N4O9Sc1822(2)35(38(45)4025121632(484)30(2025)42179101852(4246)47)412915132627(2131(29)44)28(3923(3)43)1411241933(495)36(506)37(517)34(24)26h1213151619222835H811141718H217H3(H3943)(H4045)(H4144)t2228+35+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(11dioxido12thiazinan2yl)4methoxyphenyl)Lisoleucinamide
ZINC000263586066
ZINC263586066

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Available files

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