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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-(5-chloropyridin-2-yl)-L-isoleucinamide

Catalog ID
STL550825
SMILES CC[C@H]([C@@H](C(=O)Nc1ccc(cn1)Cl)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 C32H37ClN4O6 MW 609.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37ClN4O6/c1-7-17(2)29(32(40)37-27-13-9-20(33)16-34-27)36-24-12-10-21-22(15-25(24)39)23(35-18(3)38)11-8-19-14-26(41-4)30(42-5)31(43-6)28(19)21/h9-10,12-17,23,29H,7-8,11H2,1-6H3,(H,35,38)(H,36,39)(H,34,37,40)/t17-,23+,29+/m1/s1
InChIKey
RYWOMIMQYQUGDB-GVQLWFBZSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5chloropyridin2yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5chloropyridin2yl)3methylpentanamide
127253563
CC(C@H)((C@@H)(C(=O)Nc1ccc(cn1)Cl)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC32H37ClN4O6c1717(2)29(32(40)372713920(33)163427)362412102122(1525(24)39)23(3518(3)38)118191426(414)30(425)31(436)28(19)21h91012172329H7811H216H3(H3538)(H3639)(H343740)t1723+29+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(5chloropyridin2yl)Lisoleucinamide
ZINC000604404794
ZINC604404794

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Available files

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