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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-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-L-valinamide

Catalog ID
STL546360
SMILES COc1ccc(cc1OC)C(C(C)C)NC(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C38H49N3O8 MW 675.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H49N3O8/c1-20(2)34(24-12-16-30(45-6)31(18-24)46-7)41-38(44)35(21(3)4)40-28-15-13-25-26(19-29(28)43)27(39-22(5)42)14-11-23-17-32(47-8)36(48-9)37(49-10)33(23)25/h12-13,15-21,27,34-35H,11,14H2,1-10H3,(H,39,42)(H,40,43)(H,41,44)/t27-,34?,35-/m0/s1
InChIKey
SZIDHUZRFCXAOI-WYCGTXMQSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1(34dimethoxyphenyl)2methylpropyl)3methylbutanamide
(2S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1(34dimethoxyphenyl)2methylpropyl)3methylbutanamide
110207031
COc1ccc(cc1OC)C(C(C)C)NC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H49N3O8c120(2)34(24121630(456)31(1824)467)4138(44)35(21(3)4)402815132526(1929(28)43)27(3922(5)42)1411231732(478)36(489)37(4910)33(23)25h12131521273435H1114H2110H3(H3942)(H4043)(H4144)t2734?35m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1(34dimethoxyphenyl)2methylpropyl)Lvalinamide
ZINC000253413084
ZINC000253413085

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Available files

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