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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-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-L-valinamide

Catalog ID
STL549504
SMILES COc1cc2CCC(c2cc1OC)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 C37H45N3O8 MW 659.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H45N3O8/c1-19(2)34(37(43)40-26-12-9-21-15-30(44-4)31(45-5)18-24(21)26)39-28-14-11-23-25(17-29(28)42)27(38-20(3)41)13-10-22-16-32(46-6)35(47-7)36(48-8)33(22)23/h11,14-19,26-27,34H,9-10,12-13H2,1-8H3,(H,38,41)(H,39,42)(H,40,43)/t26?,27-,34-/m0/s
InChIKey
GLDUDLOJKYBZPU-DPUYQSPZSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(56dimethoxy23dihydro1~(H)inden1yl)3methylbutanamide
(2S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(56dimethoxy23dihydro1Hinden1yl)3methylbutanamide
129895313
COc1cc2CCC(c2cc1OC)NC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H45N3O8c119(2)34(37(43)4026129211530(444)31(455)1824(21)26)392814112325(1729(28)42)27(3820(3)41)1310221632(466)35(477)36(488)33(22)23h111419262734H9101213H218H3(H3841)(H3942)(H4043)t26?2734m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(56dimethoxy23dihydro1Hinden1yl)Lvalinamide
ZINC000524730351
ZINC000524730352

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Available files

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