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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-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]-L-isoleucinamide

Catalog ID
STL550565
SMILES CC[C@H]([C@@H](C(=O)Nc1ccc(cc1)N1CCCCS1(=O)=O)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 C37H46N4O8S MW 706.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H46N4O8S/c1-7-22(2)34(37(44)39-25-11-13-26(14-12-25)41-18-8-9-19-50(41,45)46)40-30-17-15-27-28(21-31(30)43)29(38-23(3)42)16-10-24-20-32(47-4)35(48-5)36(49-6)33(24)27/h11-15,17,20-22,29,34H,7-10,16,18-19H2,1-6H3,(H,38,42)(H,39,44)(H,40,43)/t22-
InChIKey
PZEAYKDDQCGSQU-REZAABISSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(11dioxothiazinan2yl)phenyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(11dioxido12thiazinan2yl)phenyl)3methylpentanamide
127253854
CC(C@H)((C@@H)(C(=O)Nc1ccc(cc1)N1CCCCS1(=O)=O)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H46N4O8Sc1722(2)34(37(44)3925111326(141225)4118891950(4145)46)403017152728(2131(30)43)29(3823(3)42)1610242032(474)35(485)36(496)33(24)27h11151720222934H710161819H216H3(H3842)(H3944)(H4043)t2229+34+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(11dioxido12thiazinan2yl)phenyl)Lisoleucinamide
ZINC000604404656
ZINC604404656

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Available files

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