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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-[2-(2-oxopyrrolidin-1-yl)ethyl]-L-isoleucinamide

Catalog ID
STL548044
SMILES CC[C@H]([C@@H](C(=O)NCCN1CCCC1=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 C33H44N4O7 MW 608.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N4O7/c1-7-19(2)30(33(41)34-14-16-37-15-8-9-28(37)40)36-25-13-11-22-23(18-26(25)39)24(35-20(3)38)12-10-21-17-27(42-4)31(43-5)32(44-6)29(21)22/h11,13,17-19,24,30H,7-10,12,14-16H2,1-6H3,(H,34,41)(H,35,38)(H,36,39)/t19-,24+,30+/m1/s1
InChIKey
WHNOIRJAVYEUNO-WEWKHQNJSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2(2oxopyrrolidin1yl)ethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2(2oxopyrrolidin1yl)ethyl)pentanamide
121542007
CC(C@H)((C@@H)(C(=O)NCCN1CCCC1=O)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H44N4O7c1719(2)30(33(41)34141637158928(37)40)362513112223(1826(25)39)24(3520(3)38)1210211727(424)31(435)32(446)29(21)22h111317192430H710121416H216H3(H3441)(H3538)(H3639)t1924+30+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(2oxopyrrolidin1yl)ethyl)Lisoleucinamide
ZINC000263586635
ZINC263586635

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Available files

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