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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-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-L-valinamide

Catalog ID
STL545955
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2ccc(cc2)Cn2cncn2)C(C)C)NC(=O)C)cc(c1OC)OC

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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 C35H40N6O6 MW 640.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N6O6/c1-20(2)32(35(44)39-24-10-7-22(8-11-24)17-41-19-36-18-37-41)40-28-14-12-25-26(16-29(28)43)27(38-21(3)42)13-9-23-15-30(45-4)33(46-5)34(47-6)31(23)25/h7-8,10-12,14-16,18-20,27,32H,9,13,17H2,1-6H3,(H,38,42)(H,39,44)(H,40,43)/t27-,32-/m0/s
InChIKey
JNRKPWCOISCQCM-UCGGBYDDSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(4(124triazol1ylmethyl)phenyl)butanamide
(S)N(4((1H124triazol1yl)methyl)phenyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamide
110206726
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc(cc2)Cn2cncn2)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC35H40N6O6c120(2)32(35(44)392410722(81124)17411936183741)402814122526(1629(28)43)27(3821(3)42)139231530(454)33(465)34(476)31(23)25h781012141618202732H91317H216H3(H3842)(H3944)(H4043)t2732m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(1H124triazol1ylmethyl)phenyl)Lvalinamide
ZINC000253407099
ZINC253407099

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Available files

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