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N-(6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoyl)-L-phenylalanine

Catalog ID
STL546637
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)N[C@H](C(=O)O)Cc2ccccc2)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 C36H43N3O8 MW 645.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N3O8/c1-22(40)38-27-16-14-24-20-31(45-2)34(46-3)35(47-4)33(24)25-15-17-28(30(41)21-26(25)27)37-18-10-6-9-13-32(42)39-29(36(43)44)19-23-11-7-5-8-12-23/h5,7-8,11-12,15,17,20-21,27,29H,6,9-10,13-14,16,18-19H2,1-4H3,(H,37,41)(H,38,40)(H,39,42)(
InChIKey
PWEMPIZYBMHHQT-YTMVLYRLSA-N
Synonyms

(2~(S))2(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoylamino)3phenylpropanoicacid
(S)2(6(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamido)3phenylpropanoicacid
100000610
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCCCC(=O)N(C@H)(C(=O)O)Cc2ccccc2)NC(=O)C)cc(c1OC)OC
InChI=1SC36H43N3O8c122(40)38271614242031(452)34(463)35(474)33(24)25151728(30(41)2126(25)27)371810691332(42)3929(36(43)44)1923117581223h5781112151720212729H69101314161819H214H3(H3741)(H3840)(H3942)(H4344)t2729m0s1
N(6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)Lphenylalanine
ZINC000218010283
ZINC218010283

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Available files

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