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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-methoxypyridin-3-yl)-L-isoleucinamide

Catalog ID
STL546989
SMILES CC[C@H]([C@@H](C(=O)Nc1cccnc1OC)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 C33H40N4O7 MW 604.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N4O7/c1-8-18(2)29(32(40)37-25-10-9-15-34-33(25)44-7)36-24-14-12-21-22(17-26(24)39)23(35-19(3)38)13-11-20-16-27(41-4)30(42-5)31(43-6)28(20)21/h9-10,12,14-18,23,29H,8,11,13H2,1-7H3,(H,35,38)(H,36,39)(H,37,40)/t18-,23+,29+/m1/s1
InChIKey
CGHNABITKDSGCA-XGGVPNMNSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2methoxypyridin3yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2methoxypyridin3yl)3methylpentanamide
121542125
CC(C@H)((C@@H)(C(=O)Nc1cccnc1OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H40N4O7c1818(2)29(32(40)3725109153433(25)447)362414122122(1726(24)39)23(3519(3)38)1311201627(414)30(425)31(436)28(20)21h9101214182329H81113H217H3(H3538)(H3639)(H3740)t1823+29+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2methoxypyridin3yl)Lisoleucinamide
ZINC000263584937
ZINC263584937

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Available files

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